N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-3-methylbenzamide

C16H13ClN2OS — CID 960429

IUPACN-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2nc3cc(Cl)c(C)cc3s2)c1
InChIInChI=1S/C16H13ClN2OS/c1-9-4-3-5-11(6-9)15(20)19-16-18-13-8-12(17)10(2)7-14(13)21-16/h3-8H,1-2H3,(H,18,19,20)
InChIKeyJVMKJPUWSBWVEP-UHFFFAOYSA-N
MW316.81 g/mol
LogP4.82
Rot. Bonds2

About N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-3-methylbenzamide

N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-3-methylbenzamide (PubChem CID 960429) has the molecular formula C16H13ClN2OS and a molecular weight of 316.81 g/mol. Its IUPAC name is N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-3-methylbenzamide
PubChem CID960429
Molecular FormulaC16H13ClN2OS
Molecular Weight316.81 g/mol
Exact Mass316.04
IUPAC NameN-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2nc3cc(Cl)c(C)cc3s2)c1
InChIInChI=1S/C16H13ClN2OS/c1-9-4-3-5-11(6-9)15(20)19-16-18-13-8-12(17)10(2)7-14(13)21-16/h3-8H,1-2H3,(H,18,19,20)
InChIKeyJVMKJPUWSBWVEP-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)-4-ethylbenzamide
CID 17100920
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 4502392
3-(18F)fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)(18F)benzamide
CID 46224235
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-methylsulfanylpyrimidine-5-carboxamide
CID 4308951
2,4-dichloro-N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 979290
N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 141404422
2-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 7524836
methyl 2-[(3-chloro-4-methylbenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 17128805
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
CID 8670065
4-[(2R)-butan-2-yl]oxy-N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 40625136
3-methyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
CID 7615162
3-methyl-N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 3671432

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-3-methylbenzamide?
The IUPAC name of N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-3-methylbenzamide (CID 960429) is N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-3-methylbenzamide.
What is the SMILES notation for N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-3-methylbenzamide?
The canonical SMILES for N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2nc3cc(Cl)c(C)cc3s2)c1.
What is the InChIKey of N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-3-methylbenzamide?
The InChIKey is JVMKJPUWSBWVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2OS/c1-9-4-3-5-11(6-9)15(20)19-16-18-13-8-12(17)10(2)7-14(13)21-16/h3-8H,1-2H3,(H,18,19,20).
What are the key properties of N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-3-methylbenzamide?
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-3-methylbenzamide 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 N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-3-methylbenzamide is sourced from PubChem (CID 960429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).