3-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide

C15H11ClN2OS — CID 7915285

IUPAC3-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
SMILESCc1nc2ccc(NC(=O)c3cccc(Cl)c3)cc2s1
InChIInChI=1S/C15H11ClN2OS/c1-9-17-13-6-5-12(8-14(13)20-9)18-15(19)10-3-2-4-11(16)7-10/h2-8H,1H3,(H,18,19)
InChIKeyHZEMKLMIQVUUEV-UHFFFAOYSA-N
MW302.79 g/mol
LogP4.51
Rot. Bonds2

About 3-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide

3-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide (PubChem CID 7915285) has the molecular formula C15H11ClN2OS and a molecular weight of 302.79 g/mol. Its IUPAC name is 3-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
PubChem CID7915285
Molecular FormulaC15H11ClN2OS
Molecular Weight302.79 g/mol
Exact Mass302.03
IUPAC Name3-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
SMILESCc1nc2ccc(NC(=O)c3cccc(Cl)c3)cc2s1
InChIInChI=1S/C15H11ClN2OS/c1-9-17-13-6-5-12(8-14(13)20-9)18-15(19)10-3-2-4-11(16)7-10/h2-8H,1H3,(H,18,19)
InChIKeyHZEMKLMIQVUUEV-UHFFFAOYSA-N
XLogP4.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-1,3-benzothiazol-6-yl)-4-phenylbenzamide
CID 3386636
N-(3-bromophenyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 126196449
3-chloro-N-[2-(2-methylpropylsulfanyl)-1,3-benzothiazol-6-yl]benzamide
CID 3772379
2-chloro-6-fluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 2086523
2-(3-chlorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 9473411
6-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridazine-3-carboxamide
CID 61042126
3-methoxy-4-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 26693829
N-(2-acetamido-1,3-benzothiazol-5-yl)-3-chlorobenzamide
CID 46328625
N-(2-methyl-1,3-benzothiazol-6-yl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 16803037
N-[2-[(3-chlorobenzoyl)amino]-1,3-benzothiazol-6-yl]-1,3-thiazole-4-carboxamide
CID 90144262
(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 9319554
2-chloro-4,5-difluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 847893

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide?
The IUPAC name of 3-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide (CID 7915285) is 3-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide?
The canonical SMILES for 3-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide is Cc1nc2ccc(NC(=O)c3cccc(Cl)c3)cc2s1.
What is the InChIKey of 3-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide?
The InChIKey is HZEMKLMIQVUUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2OS/c1-9-17-13-6-5-12(8-14(13)20-9)18-15(19)10-3-2-4-11(16)7-10/h2-8H,1H3,(H,18,19).
What are the key properties of 3-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide?
3-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide has a molecular weight of 302.79 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide is sourced from PubChem (CID 7915285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).