2-methyl-N-phenyl-3-(1,3-thiazol-2-yl)propanamide

C13H14N2OS — CID 118662680

IUPAC2-methyl-N-phenyl-3-(1,3-thiazol-2-yl)propanamide
SMILESCC(Cc1nccs1)C(=O)Nc1ccccc1
InChIInChI=1S/C13H14N2OS/c1-10(9-12-14-7-8-17-12)13(16)15-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,15,16)
InChIKeyRCTCJZUFSASBSL-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.96
Rot. Bonds4

About 2-methyl-N-phenyl-3-(1,3-thiazol-2-yl)propanamide

2-methyl-N-phenyl-3-(1,3-thiazol-2-yl)propanamide (PubChem CID 118662680) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 2-methyl-N-phenyl-3-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-phenyl-3-(1,3-thiazol-2-yl)propanamide
PubChem CID118662680
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name2-methyl-N-phenyl-3-(1,3-thiazol-2-yl)propanamide
SMILESCC(Cc1nccs1)C(=O)Nc1ccccc1
InChIInChI=1S/C13H14N2OS/c1-10(9-12-14-7-8-17-12)13(16)15-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,15,16)
InChIKeyRCTCJZUFSASBSL-UHFFFAOYSA-N
XLogP2.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[4-[3-(1,3-thiazol-2-yl)propanoylamino]phenyl]propanoic acid
CID 120540728
ethyl 4-anilino-3-methyl-4-oxobutanoate
CID 10633516
3-amino-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 62671032
(2S)-2-(phenoxycarbonylamino)-3-(1,3-thiazol-2-yl)propanoic acid
CID 59343888
4-anilino-3-methyl-4-oxobutanoic acid;ethane
CID 90916369
2-methyl-N-phenylpentanamide
CID 4627801
(2R)-3-(4,5-dimethyl-1,2-oxazol-3-yl)-2-methyl-N-phenylpropanamide
CID 121339959
5-anilino-4-methyl-5-oxopentanoic acid
CID 58720000
3-[[(2R)-2-methylbutanoyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 27262078
(2R)-3-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-phenylpropanamide
CID 121339963
(2S)-N-(4-chlorophenyl)-2-methyl-3-phenylpropanamide
CID 793554
2-methyl-3-[3-[(2-methylpropanoylamino)methyl]phenyl]-N-phenylpropanamide
CID 154984717

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-phenyl-3-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-methyl-N-phenyl-3-(1,3-thiazol-2-yl)propanamide (CID 118662680) is 2-methyl-N-phenyl-3-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-methyl-N-phenyl-3-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-methyl-N-phenyl-3-(1,3-thiazol-2-yl)propanamide is CC(Cc1nccs1)C(=O)Nc1ccccc1.
What is the InChIKey of 2-methyl-N-phenyl-3-(1,3-thiazol-2-yl)propanamide?
The InChIKey is RCTCJZUFSASBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-10(9-12-14-7-8-17-12)13(16)15-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,15,16).
What are the key properties of 2-methyl-N-phenyl-3-(1,3-thiazol-2-yl)propanamide?
2-methyl-N-phenyl-3-(1,3-thiazol-2-yl)propanamide has a molecular weight of 246.34 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-phenyl-3-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 118662680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).