2-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide

C16H13ClN2OS — CID 7524836

IUPAC2-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1cc2nc(NC(=O)c3ccccc3Cl)sc2cc1C
InChIInChI=1S/C16H13ClN2OS/c1-9-7-13-14(8-10(9)2)21-16(18-13)19-15(20)11-5-3-4-6-12(11)17/h3-8H,1-2H3,(H,18,19,20)
InChIKeyBYLBMSGFOQFWRC-UHFFFAOYSA-N
MW316.81 g/mol
LogP4.82
Rot. Bonds2

About 2-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide

2-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 7524836) has the molecular formula C16H13ClN2OS and a molecular weight of 316.81 g/mol. Its IUPAC name is 2-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID7524836
Molecular FormulaC16H13ClN2OS
Molecular Weight316.81 g/mol
Exact Mass316.04
IUPAC Name2-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1cc2nc(NC(=O)c3ccccc3Cl)sc2cc1C
InChIInChI=1S/C16H13ClN2OS/c1-9-7-13-14(8-10(9)2)21-16(18-13)19-15(20)11-5-3-4-6-12(11)17/h3-8H,1-2H3,(H,18,19,20)
InChIKeyBYLBMSGFOQFWRC-UHFFFAOYSA-N
XLogP4.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 4502392
2,4-dichloro-N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 979290
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
CID 8670065
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435
2-chloro-N-(5-nitro-1,3-benzothiazol-2-yl)benzamide
CID 16850432
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 7524846
2-chloro-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7192536
2-chloro-N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide
CID 1314620
N-(1,3-benzothiazol-2-yl)-2-chloro-4,5-dimethoxybenzamide
CID 54516374
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-3-methylbenzamide
CID 960429
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-methylbenzamide
CID 7189878
2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 3809613

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 2-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide (CID 7524836) is 2-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 2-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide is Cc1cc2nc(NC(=O)c3ccccc3Cl)sc2cc1C.
What is the InChIKey of 2-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is BYLBMSGFOQFWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2OS/c1-9-7-13-14(8-10(9)2)21-16(18-13)19-15(20)11-5-3-4-6-12(11)17/h3-8H,1-2H3,(H,18,19,20).
What are the key properties of 2-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide?
2-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 316.81 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 7524836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).