N-(5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide

C12H12N2OS — CID 5015763

IUPACN-(5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide
SMILESCc1cnc(NC(=O)Cc2ccccc2)s1
InChIInChI=1S/C12H12N2OS/c1-9-8-13-12(16-9)14-11(15)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,13,14,15)
InChIKeyBZGKXQSOFFPEDI-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.63
Rot. Bonds3

About N-(5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide

N-(5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide (PubChem CID 5015763) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide
PubChem CID5015763
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide
SMILESCc1cnc(NC(=O)Cc2ccccc2)s1
InChIInChI=1S/C12H12N2OS/c1-9-8-13-12(16-9)14-11(15)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,13,14,15)
InChIKeyBZGKXQSOFFPEDI-UHFFFAOYSA-N
XLogP2.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(S)-4-Cmtb
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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide (CID 5015763) is N-(5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide is Cc1cnc(NC(=O)Cc2ccccc2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide?
The InChIKey is BZGKXQSOFFPEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-9-8-13-12(16-9)14-11(15)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,13,14,15).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide?
N-(5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide has a molecular weight of 232.31 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-2-phenylacetamide is sourced from PubChem (CID 5015763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).