(4S)-3-(2-methylpropanoyl)-N-[(1R)-1-phenylethyl]-1,3-thiazolidine-4-carboxamide

C16H22N2O2S — CID 809737

IUPAC(4S)-3-(2-methylpropanoyl)-N-[(1R)-1-phenylethyl]-1,3-thiazolidine-4-carboxamide
SMILESCC(C)C(=O)N1CSC[C@@H]1C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C16H22N2O2S/c1-11(2)16(20)18-10-21-9-14(18)15(19)17-12(3)13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3,(H,17,19)/t12-,14-/m1/s1
InChIKeyNSDLWTZVYWWVNV-TZMCWYRMSA-N
MW306.43 g/mol
LogP2.42
Rot. Bonds4

About (4S)-3-(2-methylpropanoyl)-N-[(1R)-1-phenylethyl]-1,3-thiazolidine-4-carboxamide

(4S)-3-(2-methylpropanoyl)-N-[(1R)-1-phenylethyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 809737) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is (4S)-3-(2-methylpropanoyl)-N-[(1R)-1-phenylethyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-(2-methylpropanoyl)-N-[(1R)-1-phenylethyl]-1,3-thiazolidine-4-carboxamide
PubChem CID809737
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name(4S)-3-(2-methylpropanoyl)-N-[(1R)-1-phenylethyl]-1,3-thiazolidine-4-carboxamide
SMILESCC(C)C(=O)N1CSC[C@@H]1C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C16H22N2O2S/c1-11(2)16(20)18-10-21-9-14(18)15(19)17-12(3)13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3,(H,17,19)/t12-,14-/m1/s1
InChIKeyNSDLWTZVYWWVNV-TZMCWYRMSA-N
XLogP2.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-3-benzoyl-N-[(1S)-1-phenylethyl]-1,3-thiazolidine-4-carboxamide
CID 3077631
N-(1-phenylethyl)-3-[(E)-3-phenylprop-2-enoyl]-1,3-thiazolidine-4-carboxamide
CID 86809261
3-(furan-2-carbonyl)-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 4030871
(4R)-3-(1-phenylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61189106
(4R)-3-acetyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazolidine-4-carboxamide
CID 97435322
3-(2-methylpropanoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42744624
N-(4-methoxyphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 56785175
1-(2-methylpropanoyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004076
(2R)-2-[[(4S)-3-acetyl-1,3-thiazolidine-4-carbonyl]amino]-3-phenylpropanoic acid
CID 129407526
3-(1-pyridin-3-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61197892
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
(2S)-1-methyl-N-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 12739440

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(2-methylpropanoyl)-N-[(1R)-1-phenylethyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-3-(2-methylpropanoyl)-N-[(1R)-1-phenylethyl]-1,3-thiazolidine-4-carboxamide (CID 809737) is (4S)-3-(2-methylpropanoyl)-N-[(1R)-1-phenylethyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-(2-methylpropanoyl)-N-[(1R)-1-phenylethyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-(2-methylpropanoyl)-N-[(1R)-1-phenylethyl]-1,3-thiazolidine-4-carboxamide is CC(C)C(=O)N1CSC[C@@H]1C(=O)N[C@H](C)c1ccccc1.
What is the InChIKey of (4S)-3-(2-methylpropanoyl)-N-[(1R)-1-phenylethyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is NSDLWTZVYWWVNV-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-11(2)16(20)18-10-21-9-14(18)15(19)17-12(3)13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3,(H,17,19)/t12-,14-/m1/s1.
What are the key properties of (4S)-3-(2-methylpropanoyl)-N-[(1R)-1-phenylethyl]-1,3-thiazolidine-4-carboxamide?
(4S)-3-(2-methylpropanoyl)-N-[(1R)-1-phenylethyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 306.43 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(2-methylpropanoyl)-N-[(1R)-1-phenylethyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 809737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).