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

C21H15ClF4N4O2S — CID 15949824

IUPAC5-chloro-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-(4-oxopiperidin-1-yl)pyridine-3-carboxamide
SMILESO=C1CCN(c2ncc(C(=O)Nc3nc(-c4cccc(C(F)(F)F)c4F)cs3)cc2Cl)CC1
InChIInChI=1S/C21H15ClF4N4O2S/c22-15-8-11(9-27-18(15)30-6-4-12(31)5-7-30)19(32)29-20-28-16(10-33-20)13-2-1-3-14(17(13)23)21(24,25)26/h1-3,8-10H,4-7H2,(H,28,29,32)
InChIKeyXGVJPTZCYVFBFV-UHFFFAOYSA-N
MW498.89 g/mol
LogP5.44
Rot. Bonds4

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

5-chloro-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-(4-oxopiperidin-1-yl)pyridine-3-carboxamide (PubChem CID 15949824) has the molecular formula C21H15ClF4N4O2S and a molecular weight of 498.89 g/mol. Its IUPAC name is 5-chloro-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-(4-oxopiperidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-(4-oxopiperidin-1-yl)pyridine-3-carboxamide
PubChem CID15949824
Molecular FormulaC21H15ClF4N4O2S
Molecular Weight498.89 g/mol
Exact Mass498.05
IUPAC Name5-chloro-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-(4-oxopiperidin-1-yl)pyridine-3-carboxamide
SMILESO=C1CCN(c2ncc(C(=O)Nc3nc(-c4cccc(C(F)(F)F)c4F)cs3)cc2Cl)CC1
InChIInChI=1S/C21H15ClF4N4O2S/c22-15-8-11(9-27-18(15)30-6-4-12(31)5-7-30)19(32)29-20-28-16(10-33-20)13-2-1-3-14(17(13)23)21(24,25)26/h1-3,8-10H,4-7H2,(H,28,29,32)
InChIKeyXGVJPTZCYVFBFV-UHFFFAOYSA-N
XLogP5.44
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.89
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(4-oxopiperidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-(4-oxopiperidin-1-yl)pyridine-3-carboxamide (CID 15949824) is 5-chloro-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-(4-oxopiperidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-(4-oxopiperidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-(4-oxopiperidin-1-yl)pyridine-3-carboxamide is O=C1CCN(c2ncc(C(=O)Nc3nc(-c4cccc(C(F)(F)F)c4F)cs3)cc2Cl)CC1.
What is the InChIKey of 5-chloro-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-(4-oxopiperidin-1-yl)pyridine-3-carboxamide?
The InChIKey is XGVJPTZCYVFBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF4N4O2S/c22-15-8-11(9-27-18(15)30-6-4-12(31)5-7-30)19(32)29-20-28-16(10-33-20)13-2-1-3-14(17(13)23)21(24,25)26/h1-3,8-10H,4-7H2,(H,28,29,32).
What are the key properties of 5-chloro-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-(4-oxopiperidin-1-yl)pyridine-3-carboxamide?
5-chloro-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-(4-oxopiperidin-1-yl)pyridine-3-carboxamide has a molecular weight of 498.89 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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-(4-oxopiperidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 15949824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).