3-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide

C12H9N3OS — CID 7770854

IUPAC3-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2cccc(C#N)c2)n1
InChIInChI=1S/C12H9N3OS/c1-8-7-17-12(14-8)15-11(16)10-4-2-3-9(5-10)6-13/h2-5,7H,1H3,(H,14,15,16)
InChIKeyRXWYJGLYQKXERX-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.58
Rot. Bonds2

About 3-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide

3-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 7770854) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is 3-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID7770854
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC Name3-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2cccc(C#N)c2)n1
InChIInChI=1S/C12H9N3OS/c1-8-7-17-12(14-8)15-11(16)10-4-2-3-9(5-10)6-13/h2-5,7H,1H3,(H,14,15,16)
InChIKeyRXWYJGLYQKXERX-UHFFFAOYSA-N
XLogP2.58
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2566426
3-cyano-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 7948158
3-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 7733305
N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-cyanobenzamide
CID 9050215
3-cyano-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 24709345
3-(3-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 44572247
3-cyano-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 4801011
3-cyano-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 78838350
3-(2-methylpropoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 30854706
3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 1246749
4-(4-cyanophenyl)-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 24820973
3-cyano-N-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 75503403

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 7770854) is 3-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide is Cc1csc(NC(=O)c2cccc(C#N)c2)n1.
What is the InChIKey of 3-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is RXWYJGLYQKXERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c1-8-7-17-12(14-8)15-11(16)10-4-2-3-9(5-10)6-13/h2-5,7H,1H3,(H,14,15,16).
What are the key properties of 3-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
3-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 243.29 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 7770854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).