(4S,5S)-5-(4-chlorophenyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide

C11H11ClN2O2S — CID 141314838

IUPAC(4S,5S)-5-(4-chlorophenyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide
SMILESC[C@H]1[C@H](c2ccc(Cl)cc2)SC(=O)N1C(N)=O
InChIInChI=1S/C11H11ClN2O2S/c1-6-9(7-2-4-8(12)5-3-7)17-11(16)14(6)10(13)15/h2-6,9H,1H3,(H2,13,15)/t6-,9+/m0/s1
InChIKeyOWQQVISJIKLFDY-IMTBSYHQSA-N
MW270.74 g/mol
LogP3.02
Rot. Bonds1

About (4S,5S)-5-(4-chlorophenyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide

(4S,5S)-5-(4-chlorophenyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide (PubChem CID 141314838) has the molecular formula C11H11ClN2O2S and a molecular weight of 270.74 g/mol. Its IUPAC name is (4S,5S)-5-(4-chlorophenyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name(4S,5S)-5-(4-chlorophenyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide
PubChem CID141314838
Molecular FormulaC11H11ClN2O2S
Molecular Weight270.74 g/mol
Exact Mass270.02
IUPAC Name(4S,5S)-5-(4-chlorophenyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide
SMILESC[C@H]1[C@H](c2ccc(Cl)cc2)SC(=O)N1C(N)=O
InChIInChI=1S/C11H11ClN2O2S/c1-6-9(7-2-4-8(12)5-3-7)17-11(16)14(6)10(13)15/h2-6,9H,1H3,(H2,13,15)/t6-,9+/m0/s1
InChIKeyOWQQVISJIKLFDY-IMTBSYHQSA-N
XLogP3.02
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.74
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

Hexythiazox
CID 13218777
(4S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide
CID 73673
trans-5-(4-Chlorophenyl)-4-methylthiazolidin-2-one
CID 13092656
Hexythiazox metabolite PT-1-2
CID 85547979
hexythiazox TP1
CID 139595171
(4R,5R)-5-(4-Chlorophenyl)-4-methyl-1,3-thiazolidin-2-one
CID 13092659
(4R,5R)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide
CID 177861
5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide
CID 4560140
hexythiazox TP2
CID 155884401
(2R)-2-(4-chlorophenyl)-N-methyl-1,3-thiazolidine-3-carboxamide
CID 44360363
1-[1-(4-Chlorophenyl)propan-2-yl]-1-methyl-3-(2-methylsulfonylethyl)urea
CID 72130556
3-[3-(4-Chlorophenyl)propyl]-1-methyl-1-(1-methylsulfonylpropan-2-yl)urea
CID 72136905

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-(4-chlorophenyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide?
The IUPAC name of (4S,5S)-5-(4-chlorophenyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide (CID 141314838) is (4S,5S)-5-(4-chlorophenyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for (4S,5S)-5-(4-chlorophenyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for (4S,5S)-5-(4-chlorophenyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide is C[C@H]1[C@H](c2ccc(Cl)cc2)SC(=O)N1C(N)=O.
What is the InChIKey of (4S,5S)-5-(4-chlorophenyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide?
The InChIKey is OWQQVISJIKLFDY-IMTBSYHQSA-N. The full InChI is InChI=1S/C11H11ClN2O2S/c1-6-9(7-2-4-8(12)5-3-7)17-11(16)14(6)10(13)15/h2-6,9H,1H3,(H2,13,15)/t6-,9+/m0/s1.
What are the key properties of (4S,5S)-5-(4-chlorophenyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide?
(4S,5S)-5-(4-chlorophenyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide has a molecular weight of 270.74 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-(4-chlorophenyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 141314838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).