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

C12H12N2OS — CID 2852571

IUPACN-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)Nc1nc(-c2ccccc2)c(C)s1
InChIInChI=1S/C12H12N2OS/c1-8-11(10-6-4-3-5-7-10)14-12(16-8)13-9(2)15/h3-7H,1-2H3,(H,13,14,15)
InChIKeyPAKQPQQSGMWRJN-UHFFFAOYSA-N
MW232.31 g/mol
LogP3.08
Rot. Bonds2

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

N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 2852571) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID2852571
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC NameN-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)Nc1nc(-c2ccccc2)c(C)s1
InChIInChI=1S/C12H12N2OS/c1-8-11(10-6-4-3-5-7-10)14-12(16-8)13-9(2)15/h3-7H,1-2H3,(H,13,14,15)
InChIKeyPAKQPQQSGMWRJN-UHFFFAOYSA-N
XLogP3.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide (CID 2852571) is N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide is CC(=O)Nc1nc(-c2ccccc2)c(C)s1.
What is the InChIKey of N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is PAKQPQQSGMWRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-8-11(10-6-4-3-5-7-10)14-12(16-8)13-9(2)15/h3-7H,1-2H3,(H,13,14,15).
What are the key properties of N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide?
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 232.31 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2852571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).