Basic information
- CAS
935685-90-8- Standard SMILES
Cc1nc(C#Cc2ccc(-c3cc(F)cc(C#N)c3)nc2)cs1- InChIKey
SYOSUEIMOYEGKU-UHFFFAOYSA-N- Molecular formula
- C18H10FN3S
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.05794654
Names & identifiers
- Preferred name
- 3-Fluoro-5-(5-((2-methylthiazol-4-yl)ethynyl)pyridin-2-yl)benzonitrile
- IUPAC
- 3-fluoro-5-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile
- English name
- 3-Fluoro-5-(5-((2-methylthiazol-4-yl)-ethynyl)pyridin-2-yl)benzonitrile
- Molecular formula
- C18H10FN3S
- Molecular weight
- 319.36
Names & synonyms
935685-90-83-Fluoro-5-(5-((2-methylthiazol-4-yl)ethynyl)pyridin-2-yl)benzonitrileSTX-107O55CA1TU5D3-Fluoro-5-(5-((2-methylthiazol-4-yl)-ethynyl)pyridin-2-yl)benzonitrile3-fluoro-5-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-yl]benzonitrile3-fluoro-5-{5-[(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-2-yl}benzonitrileStx107UNII-O55CA1TU5Dorb2815106SCHEMBL1244042CHEMBL3642985
Show more names
Benzonitrile, 3-fluoro-5-[5-[2-(2-methyl-4-thiazolyl)ethynyl]-2-pyridinyl]-
SCHEMBL29379653SCHEMBL29752491DTXSID90586565SYOSUEIMOYEGKU-UHFFFAOYSA-NBDBM109095EX-A13444DB-331289US8609852, 1
Database identifiers
- CAS
935685-90-8- PubChem CID
- 16662948
- DTXSID
DTXSID90586565
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 530
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- FDA UNII
- 55 CA1TU5D · O55CA1TU5D
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 280 · P280
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P280
Chemistry & industry
Suppliers4 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
江阴康源生物医药科技有限公司0510-86010668 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Related reactions
2 records
Compound notes
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