5-chloro-N-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]-3-phenyl-1H-indole-2-carboxamide

C25H17ClF3N3O2S — CID 162537281

IUPAC5-chloro-N-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]-3-phenyl-1H-indole-2-carboxamide
SMILESO=C(NN1C(=O)CSC1c1ccc(C(F)(F)F)cc1)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1
InChIInChI=1S/C25H17ClF3N3O2S/c26-17-10-11-19-18(12-17)21(14-4-2-1-3-5-14)22(30-19)23(34)31-32-20(33)13-35-24(32)15-6-8-16(9-7-15)25(27,28)29/h1-12,24,30H,13H2,(H,31,34)
InChIKeyFRCSFLXYTADMDG-UHFFFAOYSA-N
MW515.94 g/mol
LogP6.43
Rot. Bonds4

About 5-chloro-N-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]-3-phenyl-1H-indole-2-carboxamide

5-chloro-N-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]-3-phenyl-1H-indole-2-carboxamide (PubChem CID 162537281) has the molecular formula C25H17ClF3N3O2S and a molecular weight of 515.94 g/mol. Its IUPAC name is 5-chloro-N-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]-3-phenyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]-3-phenyl-1H-indole-2-carboxamide
PubChem CID162537281
Molecular FormulaC25H17ClF3N3O2S
Molecular Weight515.94 g/mol
Exact Mass515.07
IUPAC Name5-chloro-N-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]-3-phenyl-1H-indole-2-carboxamide
SMILESO=C(NN1C(=O)CSC1c1ccc(C(F)(F)F)cc1)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1
InChIInChI=1S/C25H17ClF3N3O2S/c26-17-10-11-19-18(12-17)21(14-4-2-1-3-5-14)22(30-19)23(34)31-32-20(33)13-35-24(32)15-6-8-16(9-7-15)25(27,28)29/h1-12,24,30H,13H2,(H,31,34)
InChIKeyFRCSFLXYTADMDG-UHFFFAOYSA-N
XLogP6.43
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.94
LogP ≤ 56.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]-3-phenyl-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]-3-phenyl-1H-indole-2-carboxamide (CID 162537281) is 5-chloro-N-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]-3-phenyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]-3-phenyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]-3-phenyl-1H-indole-2-carboxamide is O=C(NN1C(=O)CSC1c1ccc(C(F)(F)F)cc1)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1.
What is the InChIKey of 5-chloro-N-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]-3-phenyl-1H-indole-2-carboxamide?
The InChIKey is FRCSFLXYTADMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClF3N3O2S/c26-17-10-11-19-18(12-17)21(14-4-2-1-3-5-14)22(30-19)23(34)31-32-20(33)13-35-24(32)15-6-8-16(9-7-15)25(27,28)29/h1-12,24,30H,13H2,(H,31,34).
What are the key properties of 5-chloro-N-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]-3-phenyl-1H-indole-2-carboxamide?
5-chloro-N-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]-3-phenyl-1H-indole-2-carboxamide has a molecular weight of 515.94 g/mol, XLogP of 6.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]-3-phenyl-1H-indole-2-carboxamide is sourced from PubChem (CID 162537281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).