(4S)-N-tert-butyl-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxamide

C16H22N2O2S — CID 95206426

IUPAC(4S)-N-tert-butyl-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)(C)NC(=O)[C@H]1CSCN1C(=O)Cc1ccccc1
InChIInChI=1S/C16H22N2O2S/c1-16(2,3)17-15(20)13-10-21-11-18(13)14(19)9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,17,20)/t13-/m1/s1
InChIKeySCUUVNUAGONGBT-CYBMUJFWSA-N
MW306.43 g/mol
LogP2.05
Rot. Bonds3

About (4S)-N-tert-butyl-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxamide

(4S)-N-tert-butyl-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 95206426) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is (4S)-N-tert-butyl-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-tert-butyl-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxamide
PubChem CID95206426
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name(4S)-N-tert-butyl-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)(C)NC(=O)[C@H]1CSCN1C(=O)Cc1ccccc1
InChIInChI=1S/C16H22N2O2S/c1-16(2,3)17-15(20)13-10-21-11-18(13)14(19)9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,17,20)/t13-/m1/s1
InChIKeySCUUVNUAGONGBT-CYBMUJFWSA-N
XLogP2.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-3-[2-[4-(trifluoromethyl)phenyl]acetyl]-1,3-thiazolidine-4-carboxamide
CID 60618098
(4S)-N-tert-butyl-3-[2-(5-methylthiophen-2-yl)acetyl]-1,3-thiazolidine-4-carboxamide
CID 95206484
N-benzyl-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
CID 42749079
4-[4-(tert-butylcarbamoyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
CID 119183811
N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[(3-methyl-2-oxobutanoyl)amino]-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide
CID 10073102
(4S)-N-tert-butyl-3-[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide
CID 52846319
(4S)-N-benzyl-3-(2-pyridin-3-ylacetyl)-1,3-thiazolidine-4-carboxamide
CID 97212140
(4R)-N-tert-butyl-3-(3-propan-2-yloxypropanoyl)-1,3-thiazolidine-4-carboxamide
CID 95206466
(4R)-3-[2-(3-methylphenyl)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 53211524
2-methyl-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid
CID 119187544
(4S)-3-acetyl-N-[(2R)-1,1,1-trifluoro-2-phenylpropan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 124885156
(4R)-3-[2-(3-chlorophenyl)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 55083785

Frequently Asked Questions

What is the IUPAC name of (4S)-N-tert-butyl-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-N-tert-butyl-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxamide (CID 95206426) is (4S)-N-tert-butyl-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-tert-butyl-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-tert-butyl-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxamide is CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)Cc1ccccc1.
What is the InChIKey of (4S)-N-tert-butyl-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is SCUUVNUAGONGBT-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-16(2,3)17-15(20)13-10-21-11-18(13)14(19)9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,17,20)/t13-/m1/s1.
What are the key properties of (4S)-N-tert-butyl-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxamide?
(4S)-N-tert-butyl-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 306.43 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-tert-butyl-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95206426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).