2-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide

C16H14F3N3OS — CID 4129418

IUPAC2-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)N1CCSC1c1ccncc1
InChIInChI=1S/C16H14F3N3OS/c17-16(18,19)12-2-1-3-13(10-12)21-15(23)22-8-9-24-14(22)11-4-6-20-7-5-11/h1-7,10,14H,8-9H2,(H,21,23)
InChIKeyDVISBSFBDAGJAJ-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.38
Rot. Bonds2

About 2-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide

2-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide (PubChem CID 4129418) has the molecular formula C16H14F3N3OS and a molecular weight of 353.37 g/mol. Its IUPAC name is 2-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name2-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
PubChem CID4129418
Molecular FormulaC16H14F3N3OS
Molecular Weight353.37 g/mol
Exact Mass353.08
IUPAC Name2-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)N1CCSC1c1ccncc1
InChIInChI=1S/C16H14F3N3OS/c17-16(18,19)12-2-1-3-13(10-12)21-15(23)22-8-9-24-14(22)11-4-6-20-7-5-11/h1-7,10,14H,8-9H2,(H,21,23)
InChIKeyDVISBSFBDAGJAJ-UHFFFAOYSA-N
XLogP4.38
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide?
The IUPAC name of 2-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide (CID 4129418) is 2-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for 2-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for 2-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)N1CCSC1c1ccncc1.
What is the InChIKey of 2-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide?
The InChIKey is DVISBSFBDAGJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3OS/c17-16(18,19)12-2-1-3-13(10-12)21-15(23)22-8-9-24-14(22)11-4-6-20-7-5-11/h1-7,10,14H,8-9H2,(H,21,23).
What are the key properties of 2-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide?
2-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide has a molecular weight of 353.37 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 4129418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).