N-benzyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine

HCID 178953123CAS 21018-34-8
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Basic information

Standard SMILES
CC1CN=C(NCc2ccccc2)S1
InChIKey
TUSOLQRZIXORLP-UHFFFAOYSA-N
Molecular formula
C11H14N2S
Average molar mass
206.31 g/mol

Names & identifiers

Preferred name
N-benzyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
IUPAC
N-benzyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
English name
N-benzyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
Molecular formula
C11H14N2S
Molecular weight
206.31

Names & synonyms

N-benzyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amineNSC67201421018-34-8N-benzyl-5-methyl-4,5-dihydrothiazol-2-amineBenzyl-(5-methyl-4,5-dihydro-thiazol-2-yl)-amine5-Methyl-2-benzylimino-1,3-thiazolidineChemDiv2_000249Cambridge id 5564630MLS000523730CHEMBL1607787TUSOLQRZIXORLP-UHFFFAOYSA-NHMS1369L07
Show more names
5-methyl-2-benzylamine-2-thiazoline5-methyl-2-(benzylamino)-2-thiazoline2-Thiazolamine, 4,5-dihydro-5-methyl-N-(phenylmethyl)-
HMS2355K07STK367523AKOS000319339AKOS022104273CCG-103892NSC-672014NCI60_025510SMR000122803

Database identifiers

CAS
21018-34-8
ChEMBL
CHEMBL1607787
Nikkaji
J610.275A

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
49.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
14

Physicochemical properties

Melting point
77 °C · 77 °C(Solv: hexane (110-54-3); benzene (71-43-2))
Boiling point
336.9 · 336.9±35.0 °C(Predicted)
Density
1.17 · 1.17±0.1 g/cm3(Predicted)
pka
7.45 · 7.45±0.40(Predicted)

Chemistry & industry

Suppliers6 total

Yangzhou Model Electronic Materials Co., Ltd.+8613761402923 · [email protected]
郑州鸿晟医药科技有限公司0371-0371-13526885213 15637198702 · [email protected]
石家庄瑞田生化有限公司15831127780 · [email protected]
河南凯鑫生物医药有限公司18135767668 18135767668 · [email protected]
河南威梯希化工科技有限公司0371-55135753 18003832934 · [email protected]

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