3-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)methyl]-2-propyl-1,3-thiazolidine-4-carboxamide

C18H23FN2O2S — CID 42748491

IUPAC3-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)methyl]-2-propyl-1,3-thiazolidine-4-carboxamide
SMILESCCCC1SCC(C(=O)NCc2ccc(F)cc2)N1C(=O)C1CC1
InChIInChI=1S/C18H23FN2O2S/c1-2-3-16-21(18(23)13-6-7-13)15(11-24-16)17(22)20-10-12-4-8-14(19)9-5-12/h4-5,8-9,13,15-16H,2-3,6-7,10-11H2,1H3,(H,20,22)
InChIKeyHZDZLCFSZXLHIH-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.92
Rot. Bonds6

About 3-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)methyl]-2-propyl-1,3-thiazolidine-4-carboxamide

3-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)methyl]-2-propyl-1,3-thiazolidine-4-carboxamide (PubChem CID 42748491) has the molecular formula C18H23FN2O2S and a molecular weight of 350.46 g/mol. Its IUPAC name is 3-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)methyl]-2-propyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)methyl]-2-propyl-1,3-thiazolidine-4-carboxamide
PubChem CID42748491
Molecular FormulaC18H23FN2O2S
Molecular Weight350.46 g/mol
Exact Mass350.15
IUPAC Name3-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)methyl]-2-propyl-1,3-thiazolidine-4-carboxamide
SMILESCCCC1SCC(C(=O)NCc2ccc(F)cc2)N1C(=O)C1CC1
InChIInChI=1S/C18H23FN2O2S/c1-2-3-16-21(18(23)13-6-7-13)15(11-24-16)17(22)20-10-12-4-8-14(19)9-5-12/h4-5,8-9,13,15-16H,2-3,6-7,10-11H2,1H3,(H,20,22)
InChIKeyHZDZLCFSZXLHIH-UHFFFAOYSA-N
XLogP2.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropanecarbonyl)-N-(2-morpholin-4-ylethyl)-2-propyl-1,3-thiazolidine-4-carboxamide
CID 42748474
4-N-(4-ethylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148445
1-N-butyl-4-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109145063
4-ethyl-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 123258530
N-[(4-fluorophenyl)methyl]-3-(4-methoxybenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748212
N-benzyl-3-(2-chlorobenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide
CID 42744445
(2R,4S)-3-benzoyl-2-cyclohexyl-N-[(4-fluorophenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 1198786
3-(piperidine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63792541
4-N,4-N-diethyl-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148420
N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985646
3-[(1-methylpyrazol-4-yl)methylcarbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63781691
3-(4-fluorobenzoyl)-2-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42745368

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)methyl]-2-propyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)methyl]-2-propyl-1,3-thiazolidine-4-carboxamide (CID 42748491) is 3-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)methyl]-2-propyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)methyl]-2-propyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)methyl]-2-propyl-1,3-thiazolidine-4-carboxamide is CCCC1SCC(C(=O)NCc2ccc(F)cc2)N1C(=O)C1CC1.
What is the InChIKey of 3-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)methyl]-2-propyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is HZDZLCFSZXLHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2S/c1-2-3-16-21(18(23)13-6-7-13)15(11-24-16)17(22)20-10-12-4-8-14(19)9-5-12/h4-5,8-9,13,15-16H,2-3,6-7,10-11H2,1H3,(H,20,22).
What are the key properties of 3-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)methyl]-2-propyl-1,3-thiazolidine-4-carboxamide?
3-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)methyl]-2-propyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)methyl]-2-propyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42748491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).