(2S,4S)-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-N-pentyl-1,3-thiazolidine-4-carboxamide

C19H27FN2O2S — CID 7362578

IUPAC(2S,4S)-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-N-pentyl-1,3-thiazolidine-4-carboxamide
SMILESCCCCCNC(=O)[C@H]1CS[C@@H](c2cccc(F)c2)N1C(=O)C(C)C
InChIInChI=1S/C19H27FN2O2S/c1-4-5-6-10-21-17(23)16-12-25-19(22(16)18(24)13(2)3)14-8-7-9-15(20)11-14/h7-9,11,13,16,19H,4-6,10,12H2,1-3H3,(H,21,23)/t16-,19+/m1/s1
InChIKeyDCUMROQLTZMAKG-APWZRJJASA-N
MW366.50 g/mol
LogP3.73
Rot. Bonds7

About (2S,4S)-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-N-pentyl-1,3-thiazolidine-4-carboxamide

(2S,4S)-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-N-pentyl-1,3-thiazolidine-4-carboxamide (PubChem CID 7362578) has the molecular formula C19H27FN2O2S and a molecular weight of 366.50 g/mol. Its IUPAC name is (2S,4S)-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-N-pentyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-N-pentyl-1,3-thiazolidine-4-carboxamide
PubChem CID7362578
Molecular FormulaC19H27FN2O2S
Molecular Weight366.50 g/mol
Exact Mass366.18
IUPAC Name(2S,4S)-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-N-pentyl-1,3-thiazolidine-4-carboxamide
SMILESCCCCCNC(=O)[C@H]1CS[C@@H](c2cccc(F)c2)N1C(=O)C(C)C
InChIInChI=1S/C19H27FN2O2S/c1-4-5-6-10-21-17(23)16-12-25-19(22(16)18(24)13(2)3)14-8-7-9-15(20)11-14/h7-9,11,13,16,19H,4-6,10,12H2,1-3H3,(H,21,23)/t16-,19+/m1/s1
InChIKeyDCUMROQLTZMAKG-APWZRJJASA-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

Computed Properties (RDKit)

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

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Related Compounds

(2S,4R)-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-N-pentyl-1,3-thiazolidine-4-carboxamide
CID 7362577
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
2-(3-fluorophenyl)-3-(2-methylpropanoyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748611
(2R,4S)-N-butyl-3-(2-chlorobenzoyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 7288424
(2S,4R)-N-butyl-2-(3-fluorophenyl)-3-(3-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 7337817
3-butanoyl-2-(3-fluorophenyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
CID 42748586
3-benzoyl-2-(3-fluorophenyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
CID 42748298
N-[2-(dimethylamino)ethyl]-2-(3-fluorophenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
CID 42748553
(2R,4S)-N-(2-methoxyethyl)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxamide
CID 7412355
(2S,4R)-2-(4-fluorophenyl)-N-hexyl-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 7288637
3-butanoyl-2-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42748568

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-N-pentyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (2S,4S)-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-N-pentyl-1,3-thiazolidine-4-carboxamide (CID 7362578) is (2S,4S)-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-N-pentyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-N-pentyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (2S,4S)-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-N-pentyl-1,3-thiazolidine-4-carboxamide is CCCCCNC(=O)[C@H]1CS[C@@H](c2cccc(F)c2)N1C(=O)C(C)C.
What is the InChIKey of (2S,4S)-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-N-pentyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is DCUMROQLTZMAKG-APWZRJJASA-N. The full InChI is InChI=1S/C19H27FN2O2S/c1-4-5-6-10-21-17(23)16-12-25-19(22(16)18(24)13(2)3)14-8-7-9-15(20)11-14/h7-9,11,13,16,19H,4-6,10,12H2,1-3H3,(H,21,23)/t16-,19+/m1/s1.
What are the key properties of (2S,4S)-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-N-pentyl-1,3-thiazolidine-4-carboxamide?
(2S,4S)-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-N-pentyl-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 (2S,4S)-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-N-pentyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 7362578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).