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

C23H27FN2O2S — CID 42744453

IUPACN-(4-fluorophenyl)-3-(4-methylbenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide
SMILESCCCCCC1SCC(C(=O)Nc2ccc(F)cc2)N1C(=O)c1ccc(C)cc1
InChIInChI=1S/C23H27FN2O2S/c1-3-4-5-6-21-26(23(28)17-9-7-16(2)8-10-17)20(15-29-21)22(27)25-19-13-11-18(24)12-14-19/h7-14,20-21H,3-6,15H2,1-2H3,(H,25,27)
InChIKeySBJOIAINKBMUQK-UHFFFAOYSA-N
MW414.55 g/mol
LogP5.24
Rot. Bonds7

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

N-(4-fluorophenyl)-3-(4-methylbenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide (PubChem CID 42744453) has the molecular formula C23H27FN2O2S and a molecular weight of 414.55 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-(4-methylbenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-(4-methylbenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide
PubChem CID42744453
Molecular FormulaC23H27FN2O2S
Molecular Weight414.55 g/mol
Exact Mass414.18
IUPAC NameN-(4-fluorophenyl)-3-(4-methylbenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide
SMILESCCCCCC1SCC(C(=O)Nc2ccc(F)cc2)N1C(=O)c1ccc(C)cc1
InChIInChI=1S/C23H27FN2O2S/c1-3-4-5-6-21-26(23(28)17-9-7-16(2)8-10-17)20(15-29-21)22(27)25-19-13-11-18(24)12-14-19/h7-14,20-21H,3-6,15H2,1-2H3,(H,25,27)
InChIKeySBJOIAINKBMUQK-UHFFFAOYSA-N
XLogP5.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 55.24
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

N-tert-butyl-3-(4-methylbenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide
CID 3349910
(2S,4S)-N-(4-methylphenyl)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxamide
CID 7495246
(2R,4R)-N-(4-methylphenyl)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxamide
CID 7495247
(2S,4R)-2-(4-fluorophenyl)-N-hexyl-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 7288637
N-(4-methylphenyl)-2-propyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 3881562
methyl 3-(3-fluorobenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxylate
CID 42729361
2-ethyl-N-(4-methylphenyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 42749142
methyl 3-(naphthalene-2-carbonyl)-2-pentyl-1,3-thiazolidine-4-carboxylate
CID 42729362
2-tert-butyl-3-(4-methoxybenzoyl)-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 42745274
3-(3,5-dimethoxybenzoyl)-N-ethoxy-2-pentyl-1,3-thiazolidine-4-carboxamide
CID 42744474
methyl 3-(2,6-dimethoxybenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxylate
CID 42729387
3-(4-fluorobenzoyl)-N-(3-methylbutyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42745364

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-(4-methylbenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-3-(4-methylbenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide (CID 42744453) is N-(4-fluorophenyl)-3-(4-methylbenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-(4-methylbenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-3-(4-methylbenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide is CCCCCC1SCC(C(=O)Nc2ccc(F)cc2)N1C(=O)c1ccc(C)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3-(4-methylbenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is SBJOIAINKBMUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O2S/c1-3-4-5-6-21-26(23(28)17-9-7-16(2)8-10-17)20(15-29-21)22(27)25-19-13-11-18(24)12-14-19/h7-14,20-21H,3-6,15H2,1-2H3,(H,25,27).
What are the key properties of N-(4-fluorophenyl)-3-(4-methylbenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide?
N-(4-fluorophenyl)-3-(4-methylbenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 414.55 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-(4-methylbenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42744453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).