2-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylacetamide

C9H14N2OS — CID 47005334

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylacetamide
SMILESCc1nc(CC(=O)NC(C)C)cs1
InChIInChI=1S/C9H14N2OS/c1-6(2)10-9(12)4-8-5-13-7(3)11-8/h5-6H,4H2,1-3H3,(H,10,12)
InChIKeyNRNIHFKSQQIXKO-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.52
Rot. Bonds3

About 2-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylacetamide

2-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylacetamide (PubChem CID 47005334) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylacetamide
PubChem CID47005334
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylacetamide
SMILESCc1nc(CC(=O)NC(C)C)cs1
InChIInChI=1S/C9H14N2OS/c1-6(2)10-9(12)4-8-5-13-7(3)11-8/h5-6H,4H2,1-3H3,(H,10,12)
InChIKeyNRNIHFKSQQIXKO-UHFFFAOYSA-N
XLogP1.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylacetamide (CID 47005334) is 2-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylacetamide is Cc1nc(CC(=O)NC(C)C)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylacetamide?
The InChIKey is NRNIHFKSQQIXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-6(2)10-9(12)4-8-5-13-7(3)11-8/h5-6H,4H2,1-3H3,(H,10,12).
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylacetamide?
2-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylacetamide has a molecular weight of 198.29 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 47005334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).