N-(5-cyano-1,3-thiazol-2-yl)-3-methylbenzamide

C12H9N3OS — CID 90603545

IUPACN-(5-cyano-1,3-thiazol-2-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ncc(C#N)s2)c1
InChIInChI=1S/C12H9N3OS/c1-8-3-2-4-9(5-8)11(16)15-12-14-7-10(6-13)17-12/h2-5,7H,1H3,(H,14,15,16)
InChIKeyDCROIGIOEISAPM-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.58
Rot. Bonds2

About N-(5-cyano-1,3-thiazol-2-yl)-3-methylbenzamide

N-(5-cyano-1,3-thiazol-2-yl)-3-methylbenzamide (PubChem CID 90603545) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is N-(5-cyano-1,3-thiazol-2-yl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(5-cyano-1,3-thiazol-2-yl)-3-methylbenzamide
PubChem CID90603545
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC NameN-(5-cyano-1,3-thiazol-2-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ncc(C#N)s2)c1
InChIInChI=1S/C12H9N3OS/c1-8-3-2-4-9(5-8)11(16)15-12-14-7-10(6-13)17-12/h2-5,7H,1H3,(H,14,15,16)
InChIKeyDCROIGIOEISAPM-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

3-methyl-N-(5-phenyl-1,3-thiazol-2-yl)benzamide
CID 58033086
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-methylbenzamide
CID 86920236
N-(5-cyano-1,3-thiazol-2-yl)-4-ethoxybenzamide
CID 90603554
5-bromo-N-(5-cyano-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 90603525
N-(5-cyano-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 90603668
2-bromo-N-(5-cyano-1,3-thiazol-2-yl)benzamide
CID 90603571
3-methyl-N-[5-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 7161875
3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4191834
3-iodo-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2116508
N-(5-cyano-1,3-thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 90603522
1-(5-cyano-1,3-thiazol-2-yl)-3-(3-methoxyphenyl)urea
CID 90603698
3-chloro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide
CID 60800822

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-1,3-thiazol-2-yl)-3-methylbenzamide?
The IUPAC name of N-(5-cyano-1,3-thiazol-2-yl)-3-methylbenzamide (CID 90603545) is N-(5-cyano-1,3-thiazol-2-yl)-3-methylbenzamide.
What is the SMILES notation for N-(5-cyano-1,3-thiazol-2-yl)-3-methylbenzamide?
The canonical SMILES for N-(5-cyano-1,3-thiazol-2-yl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2ncc(C#N)s2)c1.
What is the InChIKey of N-(5-cyano-1,3-thiazol-2-yl)-3-methylbenzamide?
The InChIKey is DCROIGIOEISAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c1-8-3-2-4-9(5-8)11(16)15-12-14-7-10(6-13)17-12/h2-5,7H,1H3,(H,14,15,16).
What are the key properties of N-(5-cyano-1,3-thiazol-2-yl)-3-methylbenzamide?
N-(5-cyano-1,3-thiazol-2-yl)-3-methylbenzamide 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 N-(5-cyano-1,3-thiazol-2-yl)-3-methylbenzamide is sourced from PubChem (CID 90603545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).