N-(2-chlorophenyl)-2-methyl-1,3-benzothiazole-6-carboxamide

C15H11ClN2OS — CID 1085965

IUPACN-(2-chlorophenyl)-2-methyl-1,3-benzothiazole-6-carboxamide
SMILESCc1nc2ccc(C(=O)Nc3ccccc3Cl)cc2s1
InChIInChI=1S/C15H11ClN2OS/c1-9-17-13-7-6-10(8-14(13)20-9)15(19)18-12-5-3-2-4-11(12)16/h2-8H,1H3,(H,18,19)
InChIKeyINPDGCPIRDCJLS-UHFFFAOYSA-N
MW302.79 g/mol
LogP4.51
Rot. Bonds2

About N-(2-chlorophenyl)-2-methyl-1,3-benzothiazole-6-carboxamide

N-(2-chlorophenyl)-2-methyl-1,3-benzothiazole-6-carboxamide (PubChem CID 1085965) has the molecular formula C15H11ClN2OS and a molecular weight of 302.79 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-methyl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-methyl-1,3-benzothiazole-6-carboxamide
PubChem CID1085965
Molecular FormulaC15H11ClN2OS
Molecular Weight302.79 g/mol
Exact Mass302.03
IUPAC NameN-(2-chlorophenyl)-2-methyl-1,3-benzothiazole-6-carboxamide
SMILESCc1nc2ccc(C(=O)Nc3ccccc3Cl)cc2s1
InChIInChI=1S/C15H11ClN2OS/c1-9-17-13-7-6-10(8-14(13)20-9)15(19)18-12-5-3-2-4-11(12)16/h2-8H,1H3,(H,18,19)
InChIKeyINPDGCPIRDCJLS-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

6-N-(2-chloro-6-methylphenyl)-2-N-cyclopropane-1,3-benzothiazole-2,6-dicarboxamide
CID 17960401
4'-(6-Methyl-2-benzothiazolyl)acetanilide
CID 790687
2-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 941149
2-((4-Aminobenzoyl)amino)-5-(6-methyl-2-benzothiazolyl)benzenesulfonic acid
CID 231116
N-(3-chlorophenyl)-1,3-benzothiazole-6-carboxamide
CID 712463
N-(4-chlorophenyl)-1,3-benzothiazole-6-carboxamide
CID 712465
N-(3-fluorophenyl)-1,3-benzothiazole-6-carboxamide
CID 712469
2-Methyl-benzothiazole-6-carboxylic acid (4-acetyl-phenyl)-amide
CID 1085966
2-(1,3-benzothiazol-2-yl)-N-tert-butylbenzamide
CID 2078423
N-(2,4-difluorophenyl)-1,3-benzothiazole-6-carboxamide
CID 2092996
N-(2-propan-2-ylphenyl)-1,3-benzothiazole-6-carboxamide
CID 2096442
N-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide
CID 2738140

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-methyl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-2-methyl-1,3-benzothiazole-6-carboxamide (CID 1085965) is N-(2-chlorophenyl)-2-methyl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-methyl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-2-methyl-1,3-benzothiazole-6-carboxamide is Cc1nc2ccc(C(=O)Nc3ccccc3Cl)cc2s1.
What is the InChIKey of N-(2-chlorophenyl)-2-methyl-1,3-benzothiazole-6-carboxamide?
The InChIKey is INPDGCPIRDCJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2OS/c1-9-17-13-7-6-10(8-14(13)20-9)15(19)18-12-5-3-2-4-11(12)16/h2-8H,1H3,(H,18,19).
What are the key properties of N-(2-chlorophenyl)-2-methyl-1,3-benzothiazole-6-carboxamide?
N-(2-chlorophenyl)-2-methyl-1,3-benzothiazole-6-carboxamide 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 N-(2-chlorophenyl)-2-methyl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 1085965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).