2-amino-N-(3-chloro-2-methylphenyl)-1,3-benzothiazole-6-carboxamide

C15H12ClN3OS — CID 60635946

IUPAC2-amino-N-(3-chloro-2-methylphenyl)-1,3-benzothiazole-6-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc2nc(N)sc2c1
InChIInChI=1S/C15H12ClN3OS/c1-8-10(16)3-2-4-11(8)18-14(20)9-5-6-12-13(7-9)21-15(17)19-12/h2-7H,1H3,(H2,17,19)(H,18,20)
InChIKeyKPGWQKZPRGJWDA-UHFFFAOYSA-N
MW317.80 g/mol
LogP4.09
Rot. Bonds2

About 2-amino-N-(3-chloro-2-methylphenyl)-1,3-benzothiazole-6-carboxamide

2-amino-N-(3-chloro-2-methylphenyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 60635946) has the molecular formula C15H12ClN3OS and a molecular weight of 317.80 g/mol. Its IUPAC name is 2-amino-N-(3-chloro-2-methylphenyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-chloro-2-methylphenyl)-1,3-benzothiazole-6-carboxamide
PubChem CID60635946
Molecular FormulaC15H12ClN3OS
Molecular Weight317.80 g/mol
Exact Mass317.04
IUPAC Name2-amino-N-(3-chloro-2-methylphenyl)-1,3-benzothiazole-6-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc2nc(N)sc2c1
InChIInChI=1S/C15H12ClN3OS/c1-8-10(16)3-2-4-11(8)18-14(20)9-5-6-12-13(7-9)21-15(17)19-12/h2-7H,1H3,(H2,17,19)(H,18,20)
InChIKeyKPGWQKZPRGJWDA-UHFFFAOYSA-N
XLogP4.09
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide
CID 60635776
3-carbamothioyl-N-(3-chloro-2-methylphenyl)benzamide
CID 29302193
2-amino-N-pyrimidin-2-yl-1,3-benzothiazole-6-carboxamide
CID 60719150
2-amino-N-(2-ethyl-6-methylphenyl)-1,3-benzothiazole-6-carboxamide
CID 110451251
N-(2-amino-1,3-benzothiazol-6-yl)-3-methylbenzamide
CID 50882009
2-amino-N-(3,4-dimethylphenyl)-1,3-benzothiazole-6-carboxamide
CID 60636051
2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,3-benzothiazole-6-carboxamide
CID 104618861
2-amino-N-(6-fluoro-2-pyridinyl)-1,3-benzothiazole-6-carboxamide
CID 116813293
2-amino-N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide
CID 65349764
2-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-1,3-benzothiazole-6-carboxamide
CID 25151133
2-amino-N-(2,5-dimethylpyrazol-3-yl)-1,3-benzothiazole-6-carboxamide
CID 65349670
2-amino-N-(3-bromo-5-methylphenyl)-1,3-benzothiazole-6-carboxamide
CID 107583466

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-chloro-2-methylphenyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-(3-chloro-2-methylphenyl)-1,3-benzothiazole-6-carboxamide (CID 60635946) is 2-amino-N-(3-chloro-2-methylphenyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-(3-chloro-2-methylphenyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-(3-chloro-2-methylphenyl)-1,3-benzothiazole-6-carboxamide is Cc1c(Cl)cccc1NC(=O)c1ccc2nc(N)sc2c1.
What is the InChIKey of 2-amino-N-(3-chloro-2-methylphenyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is KPGWQKZPRGJWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3OS/c1-8-10(16)3-2-4-11(8)18-14(20)9-5-6-12-13(7-9)21-15(17)19-12/h2-7H,1H3,(H2,17,19)(H,18,20).
What are the key properties of 2-amino-N-(3-chloro-2-methylphenyl)-1,3-benzothiazole-6-carboxamide?
2-amino-N-(3-chloro-2-methylphenyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 317.80 g/mol, XLogP of 4.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-chloro-2-methylphenyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 60635946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).