3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(2S)-2-phenylpropyl]propanamide

C16H20N2O2S — CID 29225382

IUPAC3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(2S)-2-phenylpropyl]propanamide
SMILESCc1csc(=O)n1CCC(=O)NC[C@@H](C)c1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-12(14-6-4-3-5-7-14)10-17-15(19)8-9-18-13(2)11-21-16(18)20/h3-7,11-12H,8-10H2,1-2H3,(H,17,19)/t12-/m1/s1
InChIKeySSJHZKPHTFRDHC-GFCCVEGCSA-N
MW304.42 g/mol
LogP2.53
Rot. Bonds6

About 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(2S)-2-phenylpropyl]propanamide

3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(2S)-2-phenylpropyl]propanamide (PubChem CID 29225382) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(2S)-2-phenylpropyl]propanamide.

Molecular Properties

Compound Name3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(2S)-2-phenylpropyl]propanamide
PubChem CID29225382
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(2S)-2-phenylpropyl]propanamide
SMILESCc1csc(=O)n1CCC(=O)NC[C@@H](C)c1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-12(14-6-4-3-5-7-14)10-17-15(19)8-9-18-13(2)11-21-16(18)20/h3-7,11-12H,8-10H2,1-2H3,(H,17,19)/t12-/m1/s1
InChIKeySSJHZKPHTFRDHC-GFCCVEGCSA-N
XLogP2.53
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[[2-(methoxymethyl)phenyl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(2S)-2-phenylpropyl]propanamide?
The IUPAC name of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(2S)-2-phenylpropyl]propanamide (CID 29225382) is 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(2S)-2-phenylpropyl]propanamide.
What is the SMILES notation for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(2S)-2-phenylpropyl]propanamide?
The canonical SMILES for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(2S)-2-phenylpropyl]propanamide is Cc1csc(=O)n1CCC(=O)NC[C@@H](C)c1ccccc1.
What is the InChIKey of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(2S)-2-phenylpropyl]propanamide?
The InChIKey is SSJHZKPHTFRDHC-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-12(14-6-4-3-5-7-14)10-17-15(19)8-9-18-13(2)11-21-16(18)20/h3-7,11-12H,8-10H2,1-2H3,(H,17,19)/t12-/m1/s1.
What are the key properties of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(2S)-2-phenylpropyl]propanamide?
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(2S)-2-phenylpropyl]propanamide has a molecular weight of 304.42 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(2S)-2-phenylpropyl]propanamide is sourced from PubChem (CID 29225382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).