Basic information
- CAS
137118-00-4- Standard SMILES
Cl.Nc1nc(CCN2C(=O)c3ccccc3C2=O)cs1- InChIKey
NKKRVCKYGBAIPT-UHFFFAOYSA-N- Molecular formula
- C13H12ClN3O2S
- Average molar mass
- 309.77 g/mol
- Monoisotopic mass
- 309.0338755
Names & identifiers
- Preferred name
- 2-(2-(2-Aminothiazol-4-yl)ethyl)isoindoline-1,3-dione hydrochloride
- IUPAC
- 2-[2-(2-amino-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione;hydrochloride
- English name
- 2-[2-(2-Amino-1,3-thiazol-4-yl)ethyl]-1H-isoindole-1,3(2H)-dione hydrochloride, 2-[2-(2-Amino-1,3-thiazol-4-yl)ethyl]isoindolin-1,3-dione hydrochloride
- Molecular formula
- C13H12ClN3O2S
- Molecular weight
- 309.77
Names & synonyms
137118-00-42-Amino-4-[(2-N-phthalimido)ethyl]thiazole HClMFCD117069942-AMINO-4-[(2-N-PHTHALIMIDO)ETHYL]THIAZOLE HYDROCHLORIDE2-(2-(2-Aminothiazol-4-yl)ethyl)isoindoline-1,3-dione hydrochloride2-Amino-4-[(2-N-phthalimido)ethyl]thiazolehydrochloride2-[2-(2-amino-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione;hydrochloride2-[2-(2-Amino-4-thiazolyl)ethyl]isoindoline-1,3-dione HydrochlorideNKKRVCKYGBAIPT-UHFFFAOYSA-NSCHEMBL9381859DTXSID60656825AKOS015949575
Show more names
2-[2-(2-Amino-thiazol-4-yl)ethyl]-1H-isoindol-1,3(2H)-dione HCl2-Amino-4-[(2-n-phthalimido)ethyl]thiazole Hydrochloric Acid Salt2-[2-(2-amino-4-thiazolyl)ethyl]-1H-Isoindole-1,3(2H)-dione hydrochloride2-[2-(2-amino-4-thiazolyl)ethyl]-1H-Isoindole-1,3(2H)-dione hydrochloride (1:1)1H-Isoindole-1,3(2H)-dione, 2-[2-(2-amino-4-thiazolyl)ethyl]-, hydrochloride (1:1)
SB64616SY319252DB-063186CS-03375662-(2-(2-Aminothiazol-4-yl)ethyl)isoindoline-1,3-dionehydrochloride2-[2-(2-aminothiazol-4-yl)ethyl]isoindoline-1,3-dione;hydrochloride2-AMINO-4-[(2-N-PHTHALIMIDO)ETHYL]THIAZOLE HCL[137118-00-4]N-[2-(2-AMINO-1,3-THIAZOL-4-YL)ETHYL]PHTHALIMIDE HYDROCHLORIDE
Properties
Computed structural properties
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 366
Physicochemical properties
- form
- solid
- InChI
- 1S/C13H11N3O2S.ClH/c14-13-15-8(7-19-13)5-6-16-11(17)9-3-1-2-4-10(9)12(16)18;/h1-4,7H,5-6H2,(H2,14,15);1H
- InChIKey
- NKKRVCKYGBAIPT-UHFFFAOYSA-N
- SMILES
- NC1=NC(CCN(C2=O)C(C3=C2C=CC=C3)=O)=CS1.[H]Cl
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- WGK Germany
- 3 · WGK 3
- HS Code
- 2934999090 · 2934999090
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- hs_code
- 2934999090
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Uses2-Amino-4-[(2-n-phthalimido)ethyl]thiazole hcl
Upstream & downstream products
Upstream raw materials
Suppliers4 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
Related reactions
2 records
Compound notes
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