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

C18H25ClN2O2S — CID 7493155

IUPAC(2R,4S)-N-[(2R)-butan-2-yl]-2-(2-chlorophenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide
SMILESCC[C@@H](C)NC(=O)[C@H]1CS[C@H](c2ccccc2Cl)N1C(=O)C(C)C
InChIInChI=1S/C18H25ClN2O2S/c1-5-12(4)20-16(22)15-10-24-18(21(15)17(23)11(2)3)13-8-6-7-9-14(13)19/h6-9,11-12,15,18H,5,10H2,1-4H3,(H,20,22)/t12-,15-,18-/m1/s1
InChIKeyMPFLQTZTCRALDX-CDHAZOANSA-N
MW368.93 g/mol
LogP3.85
Rot. Bonds5

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

(2R,4S)-N-[(2R)-butan-2-yl]-2-(2-chlorophenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 7493155) has the molecular formula C18H25ClN2O2S and a molecular weight of 368.93 g/mol. Its IUPAC name is (2R,4S)-N-[(2R)-butan-2-yl]-2-(2-chlorophenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(2R,4S)-N-[(2R)-butan-2-yl]-2-(2-chlorophenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide
PubChem CID7493155
Molecular FormulaC18H25ClN2O2S
Molecular Weight368.93 g/mol
Exact Mass368.13
IUPAC Name(2R,4S)-N-[(2R)-butan-2-yl]-2-(2-chlorophenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide
SMILESCC[C@@H](C)NC(=O)[C@H]1CS[C@H](c2ccccc2Cl)N1C(=O)C(C)C
InChIInChI=1S/C18H25ClN2O2S/c1-5-12(4)20-16(22)15-10-24-18(21(15)17(23)11(2)3)13-8-6-7-9-14(13)19/h6-9,11-12,15,18H,5,10H2,1-4H3,(H,20,22)/t12-,15-,18-/m1/s1
InChIKeyMPFLQTZTCRALDX-CDHAZOANSA-N
XLogP3.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.93
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-N-(2-fluorophenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 5217013
(2R,4R)-2-(2-chlorophenyl)-3-(2-methylpropanoyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 7414492
(3R,9bS)-N-[(2R)-butan-2-yl]-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 7735025
2-(2-chlorophenyl)-3-(2-methylbenzoyl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 42744835
(2R,4R)-N-butyl-2-(2-chlorophenyl)-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxamide
CID 7419657
(2R,4R)-2-(2-chlorophenyl)-3-(2-methoxyacetyl)-N-pentyl-1,3-thiazolidine-4-carboxamide
CID 7232108
N-[(1R)-2-[[(2S)-butan-2-yl]amino]-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]-2-chlorobenzamide
CID 93197287
2-methylpropyl 2-(2-chlorophenyl)-3-(3-methylbutanoyl)-1,3-thiazolidine-4-carboxylate
CID 42744586
propan-2-yl (2S,4R)-2-(2-chlorophenyl)-3-heptanoyl-1,3-thiazolidine-4-carboxylate
CID 7482437
propan-2-yl (2R,4S)-2-(2-chlorophenyl)-3-heptanoyl-1,3-thiazolidine-4-carboxylate
CID 7482440
(2S,4R)-2-(2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 1096432
ethyl 2-(2-chlorophenyl)-3-(phenylcarbamoyl)-1,3-thiazolidine-4-carboxylate
CID 42728826

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-N-[(2R)-butan-2-yl]-2-(2-chlorophenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (2R,4S)-N-[(2R)-butan-2-yl]-2-(2-chlorophenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide (CID 7493155) is (2R,4S)-N-[(2R)-butan-2-yl]-2-(2-chlorophenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (2R,4S)-N-[(2R)-butan-2-yl]-2-(2-chlorophenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (2R,4S)-N-[(2R)-butan-2-yl]-2-(2-chlorophenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide is CC[C@@H](C)NC(=O)[C@H]1CS[C@H](c2ccccc2Cl)N1C(=O)C(C)C.
What is the InChIKey of (2R,4S)-N-[(2R)-butan-2-yl]-2-(2-chlorophenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is MPFLQTZTCRALDX-CDHAZOANSA-N. The full InChI is InChI=1S/C18H25ClN2O2S/c1-5-12(4)20-16(22)15-10-24-18(21(15)17(23)11(2)3)13-8-6-7-9-14(13)19/h6-9,11-12,15,18H,5,10H2,1-4H3,(H,20,22)/t12-,15-,18-/m1/s1.
What are the key properties of (2R,4S)-N-[(2R)-butan-2-yl]-2-(2-chlorophenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide?
(2R,4S)-N-[(2R)-butan-2-yl]-2-(2-chlorophenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 368.93 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N-[(2R)-butan-2-yl]-2-(2-chlorophenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 7493155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).