2-cyano-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide

C13H11N3OS — CID 19173139

IUPAC2-cyano-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCc1sc(NC(=O)CC#N)nc1-c1ccccc1
InChIInChI=1S/C13H11N3OS/c1-9-12(10-5-3-2-4-6-10)16-13(18-9)15-11(17)7-8-14/h2-6H,7H2,1H3,(H,15,16,17)
InChIKeyGVIYDEOZDPLBST-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.97
Rot. Bonds3

About 2-cyano-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide

2-cyano-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 19173139) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 2-cyano-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID19173139
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name2-cyano-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCc1sc(NC(=O)CC#N)nc1-c1ccccc1
InChIInChI=1S/C13H11N3OS/c1-9-12(10-5-3-2-4-6-10)16-13(18-9)15-11(17)7-8-14/h2-6H,7H2,1H3,(H,15,16,17)
InChIKeyGVIYDEOZDPLBST-UHFFFAOYSA-N
XLogP2.97
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 167954925
2-cyano-N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 146189979
N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide
CID 3493678
ethyl 2-[(2-cyanoacetyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 110444905
2-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]acetic acid
CID 17373740
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 19183929
2-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 1333647
methyl N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamate
CID 1220478
2-cyano-N-[5-(oxan-4-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 146190212
2-(2-ethoxyphenoxy)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 16644162
4-fluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 2304857
2-amino-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide
CID 74077409

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-cyano-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide (CID 19173139) is 2-cyano-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-cyano-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-cyano-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide is Cc1sc(NC(=O)CC#N)nc1-c1ccccc1.
What is the InChIKey of 2-cyano-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is GVIYDEOZDPLBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-9-12(10-5-3-2-4-6-10)16-13(18-9)15-11(17)7-8-14/h2-6H,7H2,1H3,(H,15,16,17).
What are the key properties of 2-cyano-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide?
2-cyano-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 257.32 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 19173139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).