1-[4-methyl-2-(1-phenylethylamino)-1,3-thiazol-5-yl]ethanone

C14H16N2OS — CID 4880438

IUPAC1-[4-methyl-2-(1-phenylethylamino)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(NC(C)c2ccccc2)nc1C
InChIInChI=1S/C14H16N2OS/c1-9(12-7-5-4-6-8-12)15-14-16-10(2)13(18-14)11(3)17/h4-9H,1-3H3,(H,15,16)
InChIKeyIOUCLFJOKCPWIG-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.83
Rot. Bonds4

About 1-[4-methyl-2-(1-phenylethylamino)-1,3-thiazol-5-yl]ethanone

1-[4-methyl-2-(1-phenylethylamino)-1,3-thiazol-5-yl]ethanone (PubChem CID 4880438) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-[4-methyl-2-(1-phenylethylamino)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-2-(1-phenylethylamino)-1,3-thiazol-5-yl]ethanone
PubChem CID4880438
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name1-[4-methyl-2-(1-phenylethylamino)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(NC(C)c2ccccc2)nc1C
InChIInChI=1S/C14H16N2OS/c1-9(12-7-5-4-6-8-12)15-14-16-10(2)13(18-14)11(3)17/h4-9H,1-3H3,(H,15,16)
InChIKeyIOUCLFJOKCPWIG-UHFFFAOYSA-N
XLogP3.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-methyl-2-(1-phenylethylamino)-1,3-thiazol-5-yl]ethanone 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 1-[4-methyl-2-(1-phenylethylamino)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-methyl-2-(1-phenylethylamino)-1,3-thiazol-5-yl]ethanone (CID 4880438) is 1-[4-methyl-2-(1-phenylethylamino)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-methyl-2-(1-phenylethylamino)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-methyl-2-(1-phenylethylamino)-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(NC(C)c2ccccc2)nc1C.
What is the InChIKey of 1-[4-methyl-2-(1-phenylethylamino)-1,3-thiazol-5-yl]ethanone?
The InChIKey is IOUCLFJOKCPWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-9(12-7-5-4-6-8-12)15-14-16-10(2)13(18-14)11(3)17/h4-9H,1-3H3,(H,15,16).
What are the key properties of 1-[4-methyl-2-(1-phenylethylamino)-1,3-thiazol-5-yl]ethanone?
1-[4-methyl-2-(1-phenylethylamino)-1,3-thiazol-5-yl]ethanone has a molecular weight of 260.36 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(1-phenylethylamino)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 4880438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).