5-chloro-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-piperidin-1-ylpyridine-3-carboxamide

C21H17ClF4N4OS — CID 15948975

IUPAC5-chloro-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-piperidin-1-ylpyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2cccc(C(F)(F)F)c2F)cs1)c1cnc(N2CCCCC2)c(Cl)c1
InChIInChI=1S/C21H17ClF4N4OS/c22-15-9-12(10-27-18(15)30-7-2-1-3-8-30)19(31)29-20-28-16(11-32-20)13-5-4-6-14(17(13)23)21(24,25)26/h4-6,9-11H,1-3,7-8H2,(H,28,29,31)
InChIKeyCGHUGQMSLZRHQE-UHFFFAOYSA-N
MW484.91 g/mol
LogP6.26
Rot. Bonds4

About 5-chloro-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-piperidin-1-ylpyridine-3-carboxamide

5-chloro-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-piperidin-1-ylpyridine-3-carboxamide (PubChem CID 15948975) has the molecular formula C21H17ClF4N4OS and a molecular weight of 484.91 g/mol. Its IUPAC name is 5-chloro-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-piperidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-piperidin-1-ylpyridine-3-carboxamide
PubChem CID15948975
Molecular FormulaC21H17ClF4N4OS
Molecular Weight484.91 g/mol
Exact Mass484.07
IUPAC Name5-chloro-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-piperidin-1-ylpyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2cccc(C(F)(F)F)c2F)cs1)c1cnc(N2CCCCC2)c(Cl)c1
InChIInChI=1S/C21H17ClF4N4OS/c22-15-9-12(10-27-18(15)30-7-2-1-3-8-30)19(31)29-20-28-16(11-32-20)13-5-4-6-14(17(13)23)21(24,25)26/h4-6,9-11H,1-3,7-8H2,(H,28,29,31)
InChIKeyCGHUGQMSLZRHQE-UHFFFAOYSA-N
XLogP6.26
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.91
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-piperidin-1-ylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-piperidin-1-ylpyridine-3-carboxamide (CID 15948975) is 5-chloro-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-piperidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-piperidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-piperidin-1-ylpyridine-3-carboxamide is O=C(Nc1nc(-c2cccc(C(F)(F)F)c2F)cs1)c1cnc(N2CCCCC2)c(Cl)c1.
What is the InChIKey of 5-chloro-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-piperidin-1-ylpyridine-3-carboxamide?
The InChIKey is CGHUGQMSLZRHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF4N4OS/c22-15-9-12(10-27-18(15)30-7-2-1-3-8-30)19(31)29-20-28-16(11-32-20)13-5-4-6-14(17(13)23)21(24,25)26/h4-6,9-11H,1-3,7-8H2,(H,28,29,31).
What are the key properties of 5-chloro-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-piperidin-1-ylpyridine-3-carboxamide?
5-chloro-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-piperidin-1-ylpyridine-3-carboxamide has a molecular weight of 484.91 g/mol, XLogP of 6.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-piperidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 15948975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).