(2S)-2-(3-acetylanilino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide

C16H19N3O2S — CID 36770876

IUPAC(2S)-2-(3-acetylanilino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
SMILESCC(=O)c1cccc(N[C@@H](C)C(=O)Nc2nc(C)c(C)s2)c1
InChIInChI=1S/C16H19N3O2S/c1-9-12(4)22-16(18-9)19-15(21)10(2)17-14-7-5-6-13(8-14)11(3)20/h5-8,10,17H,1-4H3,(H,18,19,21)/t10-/m0/s1
InChIKeySOGHVADQHKCQEW-JTQLQIEISA-N
MW317.41 g/mol
LogP3.40
Rot. Bonds5

About (2S)-2-(3-acetylanilino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide

(2S)-2-(3-acetylanilino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide (PubChem CID 36770876) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is (2S)-2-(3-acetylanilino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3-acetylanilino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
PubChem CID36770876
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name(2S)-2-(3-acetylanilino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
SMILESCC(=O)c1cccc(N[C@@H](C)C(=O)Nc2nc(C)c(C)s2)c1
InChIInChI=1S/C16H19N3O2S/c1-9-12(4)22-16(18-9)19-15(21)10(2)17-14-7-5-6-13(8-14)11(3)20/h5-8,10,17H,1-4H3,(H,18,19,21)/t10-/m0/s1
InChIKeySOGHVADQHKCQEW-JTQLQIEISA-N
XLogP3.40
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-fluoro-3-(trifluoromethyl)anilino]propanamide
CID 95164173
4-[2-(3-acetylanilino)propanoylamino]benzamide
CID 46667199
(2S)-2-(3-acetylanilino)propanoic acid
CID 121364926
(2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methoxyanilino)propanamide
CID 28824897
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61466520
3-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 60675322
N-[1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 47098607
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-hydroxypropanamide
CID 23879897
(2S)-2-(3-acetylanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 35996003
(2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-methylphenoxy)propanamide
CID 8797574
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-propan-2-yloxybenzamide
CID 6457482
N-(3-acetylphenyl)-2-(4-propylanilino)propanamide
CID 112768823

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-acetylanilino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-(3-acetylanilino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide (CID 36770876) is (2S)-2-(3-acetylanilino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-(3-acetylanilino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-(3-acetylanilino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide is CC(=O)c1cccc(N[C@@H](C)C(=O)Nc2nc(C)c(C)s2)c1.
What is the InChIKey of (2S)-2-(3-acetylanilino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is SOGHVADQHKCQEW-JTQLQIEISA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-9-12(4)22-16(18-9)19-15(21)10(2)17-14-7-5-6-13(8-14)11(3)20/h5-8,10,17H,1-4H3,(H,18,19,21)/t10-/m0/s1.
What are the key properties of (2S)-2-(3-acetylanilino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide?
(2S)-2-(3-acetylanilino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 317.41 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-acetylanilino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 36770876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).