3-[3-(2-fluorophenyl)sulfanylpropanoyl]-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide

C17H23FN2O2S2 — CID 60609210

IUPAC3-[3-(2-fluorophenyl)sulfanylpropanoyl]-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)CNC(=O)C1CSCN1C(=O)CCSc1ccccc1F
InChIInChI=1S/C17H23FN2O2S2/c1-12(2)9-19-17(22)14-10-23-11-20(14)16(21)7-8-24-15-6-4-3-5-13(15)18/h3-6,12,14H,7-11H2,1-2H3,(H,19,22)
InChIKeyPRFAZDKIJCGJFE-UHFFFAOYSA-N
MW370.52 g/mol
LogP2.98
Rot. Bonds7

About 3-[3-(2-fluorophenyl)sulfanylpropanoyl]-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide

3-[3-(2-fluorophenyl)sulfanylpropanoyl]-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 60609210) has the molecular formula C17H23FN2O2S2 and a molecular weight of 370.52 g/mol. Its IUPAC name is 3-[3-(2-fluorophenyl)sulfanylpropanoyl]-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-[3-(2-fluorophenyl)sulfanylpropanoyl]-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
PubChem CID60609210
Molecular FormulaC17H23FN2O2S2
Molecular Weight370.52 g/mol
Exact Mass370.12
IUPAC Name3-[3-(2-fluorophenyl)sulfanylpropanoyl]-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)CNC(=O)C1CSCN1C(=O)CCSc1ccccc1F
InChIInChI=1S/C17H23FN2O2S2/c1-12(2)9-19-17(22)14-10-23-11-20(14)16(21)7-8-24-15-6-4-3-5-13(15)18/h3-6,12,14H,7-11H2,1-2H3,(H,19,22)
InChIKeyPRFAZDKIJCGJFE-UHFFFAOYSA-N
XLogP2.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-fluorophenyl)sulfanylpropanoyl]-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-[3-(2-fluorophenyl)sulfanylpropanoyl]-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide (CID 60609210) is 3-[3-(2-fluorophenyl)sulfanylpropanoyl]-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-[3-(2-fluorophenyl)sulfanylpropanoyl]-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-[3-(2-fluorophenyl)sulfanylpropanoyl]-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide is CC(C)CNC(=O)C1CSCN1C(=O)CCSc1ccccc1F.
What is the InChIKey of 3-[3-(2-fluorophenyl)sulfanylpropanoyl]-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is PRFAZDKIJCGJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2S2/c1-12(2)9-19-17(22)14-10-23-11-20(14)16(21)7-8-24-15-6-4-3-5-13(15)18/h3-6,12,14H,7-11H2,1-2H3,(H,19,22).
What are the key properties of 3-[3-(2-fluorophenyl)sulfanylpropanoyl]-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
3-[3-(2-fluorophenyl)sulfanylpropanoyl]-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 370.52 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-fluorophenyl)sulfanylpropanoyl]-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 60609210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).