4-cyano-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide

C17H13N3OS — CID 2150716

IUPAC4-cyano-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1cc(C)c2sc(NC(=O)c3ccc(C#N)cc3)nc2c1
InChIInChI=1S/C17H13N3OS/c1-10-7-11(2)15-14(8-10)19-17(22-15)20-16(21)13-5-3-12(9-18)4-6-13/h3-8H,1-2H3,(H,19,20,21)
InChIKeyNJXJPWCWZBVLBZ-UHFFFAOYSA-N
MW307.38 g/mol
LogP4.04
Rot. Bonds2

About 4-cyano-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide

4-cyano-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 2150716) has the molecular formula C17H13N3OS and a molecular weight of 307.38 g/mol. Its IUPAC name is 4-cyano-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID2150716
Molecular FormulaC17H13N3OS
Molecular Weight307.38 g/mol
Exact Mass307.08
IUPAC Name4-cyano-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1cc(C)c2sc(NC(=O)c3ccc(C#N)cc3)nc2c1
InChIInChI=1S/C17H13N3OS/c1-10-7-11(2)15-14(8-10)19-17(22-15)20-16(21)13-5-3-12(9-18)4-6-13/h3-8H,1-2H3,(H,19,20,21)
InChIKeyNJXJPWCWZBVLBZ-UHFFFAOYSA-N
XLogP4.04
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 7192604
methyl 4-[(5,7-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 7192914
4-cyano-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide
CID 4651889
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide
CID 7192786
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylquinoline-6-carboxamide
CID 7152613
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylbenzamide
CID 7193003
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7565266
4-(azepan-1-ylsulfonyl)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 4073267
2-[(4-cyanobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 59729192
4-cyano-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 7202790
5-chloro-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 4134437
4-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2566426

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-cyano-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide (CID 2150716) is 4-cyano-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-cyano-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-cyano-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide is Cc1cc(C)c2sc(NC(=O)c3ccc(C#N)cc3)nc2c1.
What is the InChIKey of 4-cyano-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is NJXJPWCWZBVLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3OS/c1-10-7-11(2)15-14(8-10)19-17(22-15)20-16(21)13-5-3-12(9-18)4-6-13/h3-8H,1-2H3,(H,19,20,21).
What are the key properties of 4-cyano-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide?
4-cyano-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 307.38 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 2150716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).