2-(3-methylbutanoylamino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide

C17H21N3O2S — CID 46113593

IUPAC2-(3-methylbutanoylamino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)CC(=O)Nc1nc(C(=O)NC(C)c2ccccc2)cs1
InChIInChI=1S/C17H21N3O2S/c1-11(2)9-15(21)20-17-19-14(10-23-17)16(22)18-12(3)13-7-5-4-6-8-13/h4-8,10-12H,9H2,1-3H3,(H,18,22)(H,19,20,21)
InChIKeyAMYLLMLWTVCMEC-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.62
Rot. Bonds6

About 2-(3-methylbutanoylamino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide

2-(3-methylbutanoylamino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 46113593) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-(3-methylbutanoylamino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-methylbutanoylamino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
PubChem CID46113593
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name2-(3-methylbutanoylamino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)CC(=O)Nc1nc(C(=O)NC(C)c2ccccc2)cs1
InChIInChI=1S/C17H21N3O2S/c1-11(2)9-15(21)20-17-19-14(10-23-17)16(22)18-12(3)13-7-5-4-6-8-13/h4-8,10-12H,9H2,1-3H3,(H,18,22)(H,19,20,21)
InChIKeyAMYLLMLWTVCMEC-UHFFFAOYSA-N
XLogP3.62
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-methylbutanoylamino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

3-methyl-2-[[2-(3-methylbutanoylamino)-1,3-thiazole-4-carbonyl]amino]butanoic acid
CID 82033281
2-[(4-chlorobenzoyl)amino]-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 16915079
2-[(4-fluorophenyl)carbamoylamino]-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 16948948
2-(2-methylanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 3546065
2-(1-aminoethyl)-N-[(1S)-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 66388213
2-N-ethyl-4-N-[(1R)-1-phenylethyl]-1,3-thiazole-2,4-dicarboxamide
CID 95099186
2-(4-methoxyanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 3663502
2-(4-ethoxyanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 16954861
2-acetamido-N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 103772744
3-methyl-2-[[2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 84555879
2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide
CID 139136791
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 43140266

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutanoylamino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3-methylbutanoylamino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide (CID 46113593) is 2-(3-methylbutanoylamino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3-methylbutanoylamino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3-methylbutanoylamino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide is CC(C)CC(=O)Nc1nc(C(=O)NC(C)c2ccccc2)cs1.
What is the InChIKey of 2-(3-methylbutanoylamino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is AMYLLMLWTVCMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-11(2)9-15(21)20-17-19-14(10-23-17)16(22)18-12(3)13-7-5-4-6-8-13/h4-8,10-12H,9H2,1-3H3,(H,18,22)(H,19,20,21).
What are the key properties of 2-(3-methylbutanoylamino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide?
2-(3-methylbutanoylamino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutanoylamino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46113593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).