(4R,5R)-5-(4-chlorophenyl)-4-methyl-1,3-thiazolidin-2-one

C10H10ClNOS — CID 13092659

IUPAC(4R,5R)-5-(4-chlorophenyl)-4-methyl-1,3-thiazolidin-2-one
SMILESC[C@H]1NC(=O)S[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClNOS/c1-6-9(14-10(13)12-6)7-2-4-8(11)5-3-7/h2-6,9H,1H3,(H,12,13)/t6-,9+/m1/s1
InChIKeyIPCDQNZFHKSICG-MUWHJKNJSA-N
MW227.72 g/mol
LogP3.23
Rot. Bonds1

About (4R,5R)-5-(4-chlorophenyl)-4-methyl-1,3-thiazolidin-2-one

(4R,5R)-5-(4-chlorophenyl)-4-methyl-1,3-thiazolidin-2-one (PubChem CID 13092659) has the molecular formula C10H10ClNOS and a molecular weight of 227.72 g/mol. Its IUPAC name is (4R,5R)-5-(4-chlorophenyl)-4-methyl-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-5-(4-chlorophenyl)-4-methyl-1,3-thiazolidin-2-one
PubChem CID13092659
Molecular FormulaC10H10ClNOS
Molecular Weight227.72 g/mol
Exact Mass227.02
IUPAC Name(4R,5R)-5-(4-chlorophenyl)-4-methyl-1,3-thiazolidin-2-one
SMILESC[C@H]1NC(=O)S[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClNOS/c1-6-9(14-10(13)12-6)7-2-4-8(11)5-3-7/h2-6,9H,1H3,(H,12,13)/t6-,9+/m1/s1
InChIKeyIPCDQNZFHKSICG-MUWHJKNJSA-N
XLogP3.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.72
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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
2-(4-Chlorophenyl)-2-methyl-1,3-thiazolidin-4-one
CID 3127481
2-(4-Chlorophenyl)thiazolidine
CID 98271
Hexythiazox metabolite PT-1-2
CID 85547979
2-(4-Chlorophenyl)-5-methyl-1,3-thiazolidin-4-one
CID 2828158
2-(4-Chlorophenyl)-1,3-thiazolidin-4-one
CID 2840721
3-[(4-chlorobenzyl)thio]-N-cyclopentylpropanamide
CID 5215887
(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

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-(4-chlorophenyl)-4-methyl-1,3-thiazolidin-2-one?
The IUPAC name of (4R,5R)-5-(4-chlorophenyl)-4-methyl-1,3-thiazolidin-2-one (CID 13092659) is (4R,5R)-5-(4-chlorophenyl)-4-methyl-1,3-thiazolidin-2-one.
What is the SMILES notation for (4R,5R)-5-(4-chlorophenyl)-4-methyl-1,3-thiazolidin-2-one?
The canonical SMILES for (4R,5R)-5-(4-chlorophenyl)-4-methyl-1,3-thiazolidin-2-one is C[C@H]1NC(=O)S[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of (4R,5R)-5-(4-chlorophenyl)-4-methyl-1,3-thiazolidin-2-one?
The InChIKey is IPCDQNZFHKSICG-MUWHJKNJSA-N. The full InChI is InChI=1S/C10H10ClNOS/c1-6-9(14-10(13)12-6)7-2-4-8(11)5-3-7/h2-6,9H,1H3,(H,12,13)/t6-,9+/m1/s1.
What are the key properties of (4R,5R)-5-(4-chlorophenyl)-4-methyl-1,3-thiazolidin-2-one?
(4R,5R)-5-(4-chlorophenyl)-4-methyl-1,3-thiazolidin-2-one has a molecular weight of 227.72 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-(4-chlorophenyl)-4-methyl-1,3-thiazolidin-2-one is sourced from PubChem (CID 13092659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).