5-[(4-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine

C12H13ClN2S — CID 82054667

IUPAC5-[(4-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCNc1nc(C)c(Cc2ccc(Cl)cc2)s1
InChIInChI=1S/C12H13ClN2S/c1-8-11(16-12(14-2)15-8)7-9-3-5-10(13)6-4-9/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeyAJCHQMWPUFDBMQ-UHFFFAOYSA-N
MW252.77 g/mol
LogP3.74
Rot. Bonds3

About 5-[(4-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine

5-[(4-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine (PubChem CID 82054667) has the molecular formula C12H13ClN2S and a molecular weight of 252.77 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
PubChem CID82054667
Molecular FormulaC12H13ClN2S
Molecular Weight252.77 g/mol
Exact Mass252.05
IUPAC Name5-[(4-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCNc1nc(C)c(Cc2ccc(Cl)cc2)s1
InChIInChI=1S/C12H13ClN2S/c1-8-11(16-12(14-2)15-8)7-9-3-5-10(13)6-4-9/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeyAJCHQMWPUFDBMQ-UHFFFAOYSA-N
XLogP3.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.77
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-ethylphenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 82054603
5-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 82054554
5-[(4-tert-butylphenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 93202790
4-chloro-N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 43836537
N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butane-1-sulfonamide
CID 110428303
N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 43836519
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-chlorobenzamide
CID 43836531
5-[(3-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 82054555
5-[(4-chlorophenyl)methyl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 133493717
N-(4-chlorophenyl)-4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
CID 86630514
N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 43837208
N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-benzoxepine-4-carboxamide
CID 43836897

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine (CID 82054667) is 5-[(4-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine is CNc1nc(C)c(Cc2ccc(Cl)cc2)s1.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine?
The InChIKey is AJCHQMWPUFDBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2S/c1-8-11(16-12(14-2)15-8)7-9-3-5-10(13)6-4-9/h3-6H,7H2,1-2H3,(H,14,15).
What are the key properties of 5-[(4-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine?
5-[(4-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine has a molecular weight of 252.77 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 82054667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).