2-chloro-N-[(1R)-1-phenylethyl]-1,3-benzothiazole-6-carboxamide

C16H13ClN2OS — CID 100787147

IUPAC2-chloro-N-[(1R)-1-phenylethyl]-1,3-benzothiazole-6-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2nc(Cl)sc2c1)c1ccccc1
InChIInChI=1S/C16H13ClN2OS/c1-10(11-5-3-2-4-6-11)18-15(20)12-7-8-13-14(9-12)21-16(17)19-13/h2-10H,1H3,(H,18,20)/t10-/m1/s1
InChIKeyPLMRXFFRNCQQOC-SNVBAGLBSA-N
MW316.81 g/mol
LogP4.44
Rot. Bonds3

About 2-chloro-N-[(1R)-1-phenylethyl]-1,3-benzothiazole-6-carboxamide

2-chloro-N-[(1R)-1-phenylethyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 100787147) has the molecular formula C16H13ClN2OS and a molecular weight of 316.81 g/mol. Its IUPAC name is 2-chloro-N-[(1R)-1-phenylethyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(1R)-1-phenylethyl]-1,3-benzothiazole-6-carboxamide
PubChem CID100787147
Molecular FormulaC16H13ClN2OS
Molecular Weight316.81 g/mol
Exact Mass316.04
IUPAC Name2-chloro-N-[(1R)-1-phenylethyl]-1,3-benzothiazole-6-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2nc(Cl)sc2c1)c1ccccc1
InChIInChI=1S/C16H13ClN2OS/c1-10(11-5-3-2-4-6-11)18-15(20)12-7-8-13-14(9-12)21-16(17)19-13/h2-10H,1H3,(H,18,20)/t10-/m1/s1
InChIKeyPLMRXFFRNCQQOC-SNVBAGLBSA-N
XLogP4.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[(1R)-1-phenylethyl]-1,3-benzothiazole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-phenylethyl)-1,3-benzothiazole-6-carboxamide
CID 4571608
2-chloro-N-(1-methoxypropan-2-yl)-1,3-benzothiazole-6-carboxamide
CID 133167344
2-chloro-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide
CID 100787163
2-chloro-N-(1-phenylethyl)-1,3-benzoxazole-5-carboxamide
CID 133167282
2-methyl-N-(1-phenylethyl)-1,3-benzoxazole-6-carboxamide
CID 110765208
N-[(1R)-1-phenylethyl]naphthalene-2-carboxamide
CID 814202
2-chloro-1,3-benzothiazole-6-carboxylic acid;hydrochloride
CID 70181795
2-(2,6-dichlorophenyl)-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-[(1S)-1-phenylethyl]-3H-benzimidazole-5-carboxamide
CID 160994973
3-bromo-4-chloro-N-[(1R)-1-phenylethyl]benzamide
CID 59803164
2-amino-N-[(1R)-1-(furan-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide
CID 81399692
2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide
CID 65349581
2-methyl-N-[(1S)-1-pyridin-2-ylethyl]-1,3-benzothiazole-6-carboxamide
CID 51599963

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R)-1-phenylethyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-chloro-N-[(1R)-1-phenylethyl]-1,3-benzothiazole-6-carboxamide (CID 100787147) is 2-chloro-N-[(1R)-1-phenylethyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-chloro-N-[(1R)-1-phenylethyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-chloro-N-[(1R)-1-phenylethyl]-1,3-benzothiazole-6-carboxamide is C[C@@H](NC(=O)c1ccc2nc(Cl)sc2c1)c1ccccc1.
What is the InChIKey of 2-chloro-N-[(1R)-1-phenylethyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is PLMRXFFRNCQQOC-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H13ClN2OS/c1-10(11-5-3-2-4-6-11)18-15(20)12-7-8-13-14(9-12)21-16(17)19-13/h2-10H,1H3,(H,18,20)/t10-/m1/s1.
What are the key properties of 2-chloro-N-[(1R)-1-phenylethyl]-1,3-benzothiazole-6-carboxamide?
2-chloro-N-[(1R)-1-phenylethyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 316.81 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1R)-1-phenylethyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 100787147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).