N-butyl-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide

C14H19FN2OS — CID 3359545

IUPACN-butyl-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
SMILESCCCCNC(=O)N1CCSC1c1ccc(F)cc1
InChIInChI=1S/C14H19FN2OS/c1-2-3-8-16-14(18)17-9-10-19-13(17)11-4-6-12(15)7-5-11/h4-7,13H,2-3,8-10H2,1H3,(H,16,18)
InChIKeyQXSCDZCWEIWLLG-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.38
Rot. Bonds4

About N-butyl-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide

N-butyl-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 3359545) has the molecular formula C14H19FN2OS and a molecular weight of 282.38 g/mol. Its IUPAC name is N-butyl-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID3359545
Molecular FormulaC14H19FN2OS
Molecular Weight282.38 g/mol
Exact Mass282.12
IUPAC NameN-butyl-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
SMILESCCCCNC(=O)N1CCSC1c1ccc(F)cc1
InChIInChI=1S/C14H19FN2OS/c1-2-3-8-16-14(18)17-9-10-19-13(17)11-4-6-12(15)7-5-11/h4-7,13H,2-3,8-10H2,1H3,(H,16,18)
InChIKeyQXSCDZCWEIWLLG-UHFFFAOYSA-N
XLogP3.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]octan-1-one
CID 4163378
1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]nonan-1-one
CID 5237084
2-[butyl-[(4-fluorophenyl)methyl]amino]-1-[(2S)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 7431752
2-[4-(dimethylamino)phenyl]-N-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 45153977
(2S,5R)-N-butyl-2-(4-fluorophenyl)-5-(thiomorpholine-4-carbonyl)piperidine-1-carboxamide
CID 93001954
N-(3,4-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 4572857
(2R)-N-(2,6-dichlorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7283743
(2S)-N-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7418716
ethyl (2S)-2-[butyl-[2-[(2S)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]propanoate
CID 7361479
N-(3,4-dichlorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 3359543
2-(4-fluorophenyl)-N-(3-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 4572724
(3S,6R)-1-N-butyl-6-(4-fluorophenyl)-3-N-prop-2-enylpiperidine-1,3-dicarboxamide
CID 93328583

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of N-butyl-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide (CID 3359545) is N-butyl-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for N-butyl-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for N-butyl-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide is CCCCNC(=O)N1CCSC1c1ccc(F)cc1.
What is the InChIKey of N-butyl-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is QXSCDZCWEIWLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2OS/c1-2-3-8-16-14(18)17-9-10-19-13(17)11-4-6-12(15)7-5-11/h4-7,13H,2-3,8-10H2,1H3,(H,16,18).
What are the key properties of N-butyl-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide?
N-butyl-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 282.38 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 3359545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).