N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-1,3-thiazolidine-3-carboxamide

C15H12F4N4OS — CID 130453734

IUPACN-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2cncc(F)c2)nc1C(F)(F)F)N1CCSC1
InChIInChI=1S/C15H12F4N4OS/c16-10-5-9(6-20-7-10)11-1-2-12(13(21-11)15(17,18)19)22-14(24)23-3-4-25-8-23/h1-2,5-7H,3-4,8H2,(H,22,24)
InChIKeyDHBQEARYMAJTAI-UHFFFAOYSA-N
MW372.35 g/mol
LogP3.84
Rot. Bonds2

About N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-1,3-thiazolidine-3-carboxamide

N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-1,3-thiazolidine-3-carboxamide (PubChem CID 130453734) has the molecular formula C15H12F4N4OS and a molecular weight of 372.35 g/mol. Its IUPAC name is N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-1,3-thiazolidine-3-carboxamide
PubChem CID130453734
Molecular FormulaC15H12F4N4OS
Molecular Weight372.35 g/mol
Exact Mass372.07
IUPAC NameN-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2cncc(F)c2)nc1C(F)(F)F)N1CCSC1
InChIInChI=1S/C15H12F4N4OS/c16-10-5-9(6-20-7-10)11-1-2-12(13(21-11)15(17,18)19)22-14(24)23-3-4-25-8-23/h1-2,5-7H,3-4,8H2,(H,22,24)
InChIKeyDHBQEARYMAJTAI-UHFFFAOYSA-N
XLogP3.84
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-(4-Fluorophenyl)pyridin-3-yl)-3-(4-piperidin-1-ylbutyl)urea
CID 44240743
1-(6-Phenylpyridin-3-yl)-3-(4-(piperidin-1-yl)butyl)urea
CID 44611609
1-(6-(2-Fluorophenyl)pyridin-3-yl)-3-(4-(piperidin-1-yl)butyl)urea
CID 44611748
1-(6''-Fluoro-2,3''-bipyridin-5-yl)-3-(4-(piperidin-1-yl)butyl)urea
CID 44611875
4-[2-(trifluoromethyl)phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]piperazine-1-carboxamide
CID 44387769
4-amino-6-(trifluoromethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3H-imidazo[4,5-c]pyridin-2-one
CID 70692005
4-amino-1-[(6-amino-3-pyridinyl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 70696167
1-(4-Methyl-pyridin-3-yl)-3-(2-trifluoromethyl-pyridin-4-yl)-imidazolidin-2-one
CID 49872453
1-[2,6-Bis(trifluoromethyl)pyridin-4-yl]-3-(4-cyclopropylpyridin-3-yl)imidazolidin-2-one
CID 66576897
N-[5-amino-2-(4-fluorophenyl)-4-pyridinyl]pyrrolidine-1-carboxamide
CID 124190622
US10807988, Example SC_3375
CID 130201148
US10807988, Example SC_3370
CID 130201528

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-1,3-thiazolidine-3-carboxamide?
The IUPAC name of N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-1,3-thiazolidine-3-carboxamide (CID 130453734) is N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-1,3-thiazolidine-3-carboxamide is O=C(Nc1ccc(-c2cncc(F)c2)nc1C(F)(F)F)N1CCSC1.
What is the InChIKey of N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-1,3-thiazolidine-3-carboxamide?
The InChIKey is DHBQEARYMAJTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4N4OS/c16-10-5-9(6-20-7-10)11-1-2-12(13(21-11)15(17,18)19)22-14(24)23-3-4-25-8-23/h1-2,5-7H,3-4,8H2,(H,22,24).
What are the key properties of N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-1,3-thiazolidine-3-carboxamide?
N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-1,3-thiazolidine-3-carboxamide has a molecular weight of 372.35 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 130453734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).