3-[3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide

C18H18ClFN4O2S — CID 72685702

IUPAC3-[3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1nn(C)c(Cl)c1C=CC(=O)N1CSCC1C(=O)Nc1ccccc1F
InChIInChI=1S/C18H18ClFN4O2S/c1-11-12(17(19)23(2)22-11)7-8-16(25)24-10-27-9-15(24)18(26)21-14-6-4-3-5-13(14)20/h3-8,15H,9-10H2,1-2H3,(H,21,26)
InChIKeyKDHRCHFLFKYWHT-UHFFFAOYSA-N
MW408.89 g/mol
LogP3.07
Rot. Bonds4

About 3-[3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide

3-[3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 72685702) has the molecular formula C18H18ClFN4O2S and a molecular weight of 408.89 g/mol. Its IUPAC name is 3-[3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-[3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
PubChem CID72685702
Molecular FormulaC18H18ClFN4O2S
Molecular Weight408.89 g/mol
Exact Mass408.08
IUPAC Name3-[3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1nn(C)c(Cl)c1C=CC(=O)N1CSCC1C(=O)Nc1ccccc1F
InChIInChI=1S/C18H18ClFN4O2S/c1-11-12(17(19)23(2)22-11)7-8-16(25)24-10-27-9-15(24)18(26)21-14-6-4-3-5-13(14)20/h3-8,15H,9-10H2,1-2H3,(H,21,26)
InChIKeyKDHRCHFLFKYWHT-UHFFFAOYSA-N
XLogP3.07
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide 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

3-(2-ethylbutanoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 4317382
3-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43359567
3-(4-tert-butylbenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 42745326
3-[3-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enoyl]-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 76878765
3-(3,5-dimethoxybenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 42745754
3-[(E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoyl]-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 60609047
N-butan-2-yl-3-[3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoyl]-1,3-thiazolidine-4-carboxamide
CID 76878794
(4R)-N-(2-fluorophenyl)-3-[2-(1H-pyrrol-2-yl)acetyl]-1,3-thiazolidine-4-carboxamide
CID 97067644
(4S)-N-(2-fluorophenyl)-3-(2-naphthalen-1-ylacetyl)-1,3-thiazolidine-4-carboxamide
CID 95154769
(4R)-3-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-1,3-thiazolidine-4-carboxylic acid
CID 93310303
(4R)-3-(2-chloro-4-nitrobenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 95703211
3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[2-(difluoromethylsulfonyl)phenyl]prop-2-enamide
CID 76857685

Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-[3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide (CID 72685702) is 3-[3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-[3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-[3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide is Cc1nn(C)c(Cl)c1C=CC(=O)N1CSCC1C(=O)Nc1ccccc1F.
What is the InChIKey of 3-[3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is KDHRCHFLFKYWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN4O2S/c1-11-12(17(19)23(2)22-11)7-8-16(25)24-10-27-9-15(24)18(26)21-14-6-4-3-5-13(14)20/h3-8,15H,9-10H2,1-2H3,(H,21,26).
What are the key properties of 3-[3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide?
3-[3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 408.89 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 72685702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).