N-(2-fluorophenyl)-2-(2-methylpropyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide

C19H21FN2O2S2 — CID 3663771

IUPACN-(2-fluorophenyl)-2-(2-methylpropyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)CC1SCC(C(=O)Nc2ccccc2F)N1C(=O)c1cccs1
InChIInChI=1S/C19H21FN2O2S2/c1-12(2)10-17-22(19(24)16-8-5-9-25-16)15(11-26-17)18(23)21-14-7-4-3-6-13(14)20/h3-9,12,15,17H,10-11H2,1-2H3,(H,21,23)
InChIKeyOPHPUXMTXHANAF-UHFFFAOYSA-N
MW392.52 g/mol
LogP4.46
Rot. Bonds5

About N-(2-fluorophenyl)-2-(2-methylpropyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide

N-(2-fluorophenyl)-2-(2-methylpropyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 3663771) has the molecular formula C19H21FN2O2S2 and a molecular weight of 392.52 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(2-methylpropyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(2-methylpropyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
PubChem CID3663771
Molecular FormulaC19H21FN2O2S2
Molecular Weight392.52 g/mol
Exact Mass392.10
IUPAC NameN-(2-fluorophenyl)-2-(2-methylpropyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)CC1SCC(C(=O)Nc2ccccc2F)N1C(=O)c1cccs1
InChIInChI=1S/C19H21FN2O2S2/c1-12(2)10-17-22(19(24)16-8-5-9-25-16)15(11-26-17)18(23)21-14-7-4-3-6-13(14)20/h3-9,12,15,17H,10-11H2,1-2H3,(H,21,23)
InChIKeyOPHPUXMTXHANAF-UHFFFAOYSA-N
XLogP4.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-3-(4-methoxybenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748206
N-butan-2-yl-2-ethyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 42749131
2-ethyl-N-(4-methylphenyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 42749142
N-(4-methylphenyl)-2-propyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 3881562
N-(1-phenylethyl)-2-propyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 5029074
methyl 2-(2-phenylethyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylate
CID 42727810
3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N,N-dipropyl-1,3-thiazolidine-4-carboxamide
CID 42745398
2-(2-chlorophenyl)-N-(2-fluorophenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 5217013
3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 42745406
(2R)-N-(3-fluoro-2-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 126004910
3-(4-fluorobenzoyl)-N-(3-methylbutyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42745364
2-(furan-3-yl)-N-(3-methylbutyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 5033600

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(2-methylpropyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-2-(2-methylpropyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide (CID 3663771) is N-(2-fluorophenyl)-2-(2-methylpropyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(2-methylpropyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(2-methylpropyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide is CC(C)CC1SCC(C(=O)Nc2ccccc2F)N1C(=O)c1cccs1.
What is the InChIKey of N-(2-fluorophenyl)-2-(2-methylpropyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is OPHPUXMTXHANAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2S2/c1-12(2)10-17-22(19(24)16-8-5-9-25-16)15(11-26-17)18(23)21-14-7-4-3-6-13(14)20/h3-9,12,15,17H,10-11H2,1-2H3,(H,21,23).
What are the key properties of N-(2-fluorophenyl)-2-(2-methylpropyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide?
N-(2-fluorophenyl)-2-(2-methylpropyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 392.52 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(2-methylpropyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 3663771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).