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

C19H27FN2O2S — CID 42748586

IUPAC3-butanoyl-2-(3-fluorophenyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
SMILESCCCC(=O)N1C(C(=O)NCCC(C)C)CSC1c1cccc(F)c1
InChIInChI=1S/C19H27FN2O2S/c1-4-6-17(23)22-16(18(24)21-10-9-13(2)3)12-25-19(22)14-7-5-8-15(20)11-14/h5,7-8,11,13,16,19H,4,6,9-10,12H2,1-3H3,(H,21,24)
InChIKeyLPJBPJOVXIFUNX-UHFFFAOYSA-N
MW366.50 g/mol
LogP3.73
Rot. Bonds7

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

3-butanoyl-2-(3-fluorophenyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42748586) has the molecular formula C19H27FN2O2S and a molecular weight of 366.50 g/mol. Its IUPAC name is 3-butanoyl-2-(3-fluorophenyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-butanoyl-2-(3-fluorophenyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42748586
Molecular FormulaC19H27FN2O2S
Molecular Weight366.50 g/mol
Exact Mass366.18
IUPAC Name3-butanoyl-2-(3-fluorophenyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
SMILESCCCC(=O)N1C(C(=O)NCCC(C)C)CSC1c1cccc(F)c1
InChIInChI=1S/C19H27FN2O2S/c1-4-6-17(23)22-16(18(24)21-10-9-13(2)3)12-25-19(22)14-7-5-8-15(20)11-14/h5,7-8,11,13,16,19H,4,6,9-10,12H2,1-3H3,(H,21,24)
InChIKeyLPJBPJOVXIFUNX-UHFFFAOYSA-N
XLogP3.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzoyl-2-(3-fluorophenyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
CID 42748298
N-(3-methylbutyl)-3-pentanoyl-2-phenyl-1,3-thiazolidine-4-carboxamide
CID 42744403
(2R,4R)-3-butanoyl-2-(3-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 6961863
(2S,4R)-3-butanoyl-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxylate
CID 6945941
3-butanoyl-2-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42748568
3-butanoyl-N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 4272660
(2S,4S)-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-N-pentyl-1,3-thiazolidine-4-carboxamide
CID 7362578
(2S,4R)-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-N-pentyl-1,3-thiazolidine-4-carboxamide
CID 7362577
N-[2-(dimethylamino)ethyl]-2-(3-fluorophenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
CID 42748553
3-acetyl-2-(3-fluorophenyl)-N-hexyl-1,3-thiazolidine-4-carboxamide
CID 4542958
N-[2-(dimethylamino)ethyl]-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 42748609
(2R,4S)-N-butyl-3-(2-chlorobenzoyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 7288424

Frequently Asked Questions

What is the IUPAC name of 3-butanoyl-2-(3-fluorophenyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-butanoyl-2-(3-fluorophenyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide (CID 42748586) is 3-butanoyl-2-(3-fluorophenyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-butanoyl-2-(3-fluorophenyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-butanoyl-2-(3-fluorophenyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide is CCCC(=O)N1C(C(=O)NCCC(C)C)CSC1c1cccc(F)c1.
What is the InChIKey of 3-butanoyl-2-(3-fluorophenyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is LPJBPJOVXIFUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2S/c1-4-6-17(23)22-16(18(24)21-10-9-13(2)3)12-25-19(22)14-7-5-8-15(20)11-14/h5,7-8,11,13,16,19H,4,6,9-10,12H2,1-3H3,(H,21,24).
What are the key properties of 3-butanoyl-2-(3-fluorophenyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide?
3-butanoyl-2-(3-fluorophenyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 366.50 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butanoyl-2-(3-fluorophenyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42748586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).