methyl 3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate

C12H13ClN2O3S — CID 110190161

IUPACmethyl 3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)C1CSCN1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2O3S/c1-18-11(16)10-6-19-7-15(10)12(17)14-9-4-2-8(13)3-5-9/h2-5,10H,6-7H2,1H3,(H,14,17)
InChIKeyDUXDVYPLAQANMH-UHFFFAOYSA-N
MW300.77 g/mol
LogP2.42
Rot. Bonds2

About methyl 3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate

methyl 3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate (PubChem CID 110190161) has the molecular formula C12H13ClN2O3S and a molecular weight of 300.77 g/mol. Its IUPAC name is methyl 3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate
PubChem CID110190161
Molecular FormulaC12H13ClN2O3S
Molecular Weight300.77 g/mol
Exact Mass300.03
IUPAC Namemethyl 3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)C1CSCN1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2O3S/c1-18-11(16)10-6-19-7-15(10)12(17)14-9-4-2-8(13)3-5-9/h2-5,10H,6-7H2,1H3,(H,14,17)
InChIKeyDUXDVYPLAQANMH-UHFFFAOYSA-N
XLogP2.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl (2R,4R)-3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-2,4-dicarboxylate
CID 1476484
ethyl 4-[(4-chlorophenyl)carbamoyl]thiomorpholine-3-carboxylate
CID 23343409
(4R)-3-[(4-acetamidophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61183048
methyl (4R)-3-[[3-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylate
CID 110191701
3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43437733
methyl 3-carbonochloridoyl-1,3-thiazolidine-4-carboxylate
CID 3023680
(4R)-3-N-(4-chlorophenyl)-4-N-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide
CID 66593480
3-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 62814100
3-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61183483
3-[(4-cyanophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 24690033
3-N-(4-chlorophenyl)-4-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-1,3-thiazolidine-3,4-dicarboxamide
CID 66593247
3-[(4-sulfamoylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61185499

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl 3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate (CID 110190161) is methyl 3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl 3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl 3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate is COC(=O)C1CSCN1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of methyl 3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate?
The InChIKey is DUXDVYPLAQANMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3S/c1-18-11(16)10-6-19-7-15(10)12(17)14-9-4-2-8(13)3-5-9/h2-5,10H,6-7H2,1H3,(H,14,17).
What are the key properties of methyl 3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate?
methyl 3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate has a molecular weight of 300.77 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 110190161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).