3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-phenylacetyl)amino]butanamide

C17H21N3O2S — CID 74654559

IUPAC3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-phenylacetyl)amino]butanamide
SMILESCc1csc(NC(=O)C(NC(=O)Cc2ccccc2)C(C)C)n1
InChIInChI=1S/C17H21N3O2S/c1-11(2)15(16(22)20-17-18-12(3)10-23-17)19-14(21)9-13-7-5-4-6-8-13/h4-8,10-11,15H,9H2,1-3H3,(H,19,21)(H,18,20,22)
InChIKeyYLAGVAOUJGJGSI-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.77
Rot. Bonds6

About 3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-phenylacetyl)amino]butanamide

3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-phenylacetyl)amino]butanamide (PubChem CID 74654559) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-phenylacetyl)amino]butanamide.

Molecular Properties

Compound Name3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-phenylacetyl)amino]butanamide
PubChem CID74654559
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-phenylacetyl)amino]butanamide
SMILESCc1csc(NC(=O)C(NC(=O)Cc2ccccc2)C(C)C)n1
InChIInChI=1S/C17H21N3O2S/c1-11(2)15(16(22)20-17-18-12(3)10-23-17)19-14(21)9-13-7-5-4-6-8-13/h4-8,10-11,15H,9H2,1-3H3,(H,19,21)(H,18,20,22)
InChIKeyYLAGVAOUJGJGSI-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenylacetyl)amino]butanamide
CID 46121753
N-(4-methyl-1,3-thiazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 18134838
(2R)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 41079726
2-fluoro-N-[(2R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide
CID 2679243
4-methyl-N-[3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide
CID 42909198
4-methyl-N-[(2S)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide
CID 2679236
3-methyl-N-(4-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 71534500
N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84560120
(2R)-3-methyl-N-(2-methyl-4-pyridinyl)-2-[(2-phenylacetyl)amino]butanamide
CID 96526958
N-(4-methyl-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 4162363
3-methyl-2-[(2-phenylacetyl)amino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
CID 55360781
3-methyl-N-[(2S)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide
CID 2082289

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-phenylacetyl)amino]butanamide?
The IUPAC name of 3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-phenylacetyl)amino]butanamide (CID 74654559) is 3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-phenylacetyl)amino]butanamide.
What is the SMILES notation for 3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-phenylacetyl)amino]butanamide?
The canonical SMILES for 3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-phenylacetyl)amino]butanamide is Cc1csc(NC(=O)C(NC(=O)Cc2ccccc2)C(C)C)n1.
What is the InChIKey of 3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-phenylacetyl)amino]butanamide?
The InChIKey is YLAGVAOUJGJGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-11(2)15(16(22)20-17-18-12(3)10-23-17)19-14(21)9-13-7-5-4-6-8-13/h4-8,10-11,15H,9H2,1-3H3,(H,19,21)(H,18,20,22).
What are the key properties of 3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-phenylacetyl)amino]butanamide?
3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-phenylacetyl)amino]butanamide has a molecular weight of 331.44 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-phenylacetyl)amino]butanamide is sourced from PubChem (CID 74654559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).