N-[3,5-bis(trifluoromethyl)phenyl]-2-pyridin-3-yl-1,3-thiazolidine-3-carboxamide

C17H13F6N3OS — CID 4123913

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-2-pyridin-3-yl-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCSC1c1cccnc1
InChIInChI=1S/C17H13F6N3OS/c18-16(19,20)11-6-12(17(21,22)23)8-13(7-11)25-15(27)26-4-5-28-14(26)10-2-1-3-24-9-10/h1-3,6-9,14H,4-5H2,(H,25,27)
InChIKeyJLMWLZHQRCUDJU-UHFFFAOYSA-N
MW421.37 g/mol
LogP5.40
Rot. Bonds2

About N-[3,5-bis(trifluoromethyl)phenyl]-2-pyridin-3-yl-1,3-thiazolidine-3-carboxamide

N-[3,5-bis(trifluoromethyl)phenyl]-2-pyridin-3-yl-1,3-thiazolidine-3-carboxamide (PubChem CID 4123913) has the molecular formula C17H13F6N3OS and a molecular weight of 421.37 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-2-pyridin-3-yl-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-2-pyridin-3-yl-1,3-thiazolidine-3-carboxamide
PubChem CID4123913
Molecular FormulaC17H13F6N3OS
Molecular Weight421.37 g/mol
Exact Mass421.07
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-2-pyridin-3-yl-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCSC1c1cccnc1
InChIInChI=1S/C17H13F6N3OS/c18-16(19,20)11-6-12(17(21,22)23)8-13(7-11)25-15(27)26-4-5-28-14(26)10-2-1-3-24-9-10/h1-3,6-9,14H,4-5H2,(H,25,27)
InChIKeyJLMWLZHQRCUDJU-UHFFFAOYSA-N
XLogP5.40
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.37
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-pyridin-3-yl-1,3-thiazolidine-3-carboxamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-pyridin-3-yl-1,3-thiazolidine-3-carboxamide (CID 4123913) is N-[3,5-bis(trifluoromethyl)phenyl]-2-pyridin-3-yl-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-2-pyridin-3-yl-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-2-pyridin-3-yl-1,3-thiazolidine-3-carboxamide is O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCSC1c1cccnc1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-2-pyridin-3-yl-1,3-thiazolidine-3-carboxamide?
The InChIKey is JLMWLZHQRCUDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F6N3OS/c18-16(19,20)11-6-12(17(21,22)23)8-13(7-11)25-15(27)26-4-5-28-14(26)10-2-1-3-24-9-10/h1-3,6-9,14H,4-5H2,(H,25,27).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-2-pyridin-3-yl-1,3-thiazolidine-3-carboxamide?
N-[3,5-bis(trifluoromethyl)phenyl]-2-pyridin-3-yl-1,3-thiazolidine-3-carboxamide has a molecular weight of 421.37 g/mol, XLogP of 5.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-2-pyridin-3-yl-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 4123913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).