N-[5-(3-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-thiazole-5-carboxamide

C17H11ClF3N3O2S — CID 56961779

IUPACN-[5-(3-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-thiazole-5-carboxamide
SMILESO=C(Nc1cnc(OCC(F)(F)F)c(-c2cccc(Cl)c2)c1)c1ccns1
InChIInChI=1S/C17H11ClF3N3O2S/c18-11-3-1-2-10(6-11)13-7-12(24-15(25)14-4-5-23-27-14)8-22-16(13)26-9-17(19,20)21/h1-8H,9H2,(H,24,25)
InChIKeyWPGMEIQGVCNHHO-UHFFFAOYSA-N
MW413.81 g/mol
LogP5.05
Rot. Bonds5

About N-[5-(3-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-thiazole-5-carboxamide

N-[5-(3-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-thiazole-5-carboxamide (PubChem CID 56961779) has the molecular formula C17H11ClF3N3O2S and a molecular weight of 413.81 g/mol. Its IUPAC name is N-[5-(3-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(3-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-thiazole-5-carboxamide
PubChem CID56961779
Molecular FormulaC17H11ClF3N3O2S
Molecular Weight413.81 g/mol
Exact Mass413.02
IUPAC NameN-[5-(3-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-thiazole-5-carboxamide
SMILESO=C(Nc1cnc(OCC(F)(F)F)c(-c2cccc(Cl)c2)c1)c1ccns1
InChIInChI=1S/C17H11ClF3N3O2S/c18-11-3-1-2-10(6-11)13-7-12(24-15(25)14-4-5-23-27-14)8-22-16(13)26-9-17(19,20)21/h1-8H,9H2,(H,24,25)
InChIKeyWPGMEIQGVCNHHO-UHFFFAOYSA-N
XLogP5.05
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.81
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylpyridine-3-carboxamide
CID 56961607
5-[[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamoyl]pyridine-3-carboxylic acid
CID 67280524
N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-methylfuran-2-carboxamide
CID 56961282
N-[5-(4-ethylphenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazine-3-carboxamide
CID 56951327
N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 56961283
1,2-oxazol-5-yl N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 121433829
pyrimidin-5-yl N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 121433854
(2E)-N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methoxyiminopropanamide
CID 56961894
N-[3-(2-methylpropoxy)phenyl]-1,2-thiazole-5-carboxamide
CID 154845293
N-[5-cyclopentyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide
CID 71509734
2-[[5-(3,4-dichlorophenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]acetic acid
CID 67971457
N-[2-(3-chlorophenyl)pyrimidin-5-yl]thiophene-2-carboxamide
CID 87050770

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-thiazole-5-carboxamide?
The IUPAC name of N-[5-(3-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-thiazole-5-carboxamide (CID 56961779) is N-[5-(3-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-thiazole-5-carboxamide.
What is the SMILES notation for N-[5-(3-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-thiazole-5-carboxamide?
The canonical SMILES for N-[5-(3-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-thiazole-5-carboxamide is O=C(Nc1cnc(OCC(F)(F)F)c(-c2cccc(Cl)c2)c1)c1ccns1.
What is the InChIKey of N-[5-(3-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-thiazole-5-carboxamide?
The InChIKey is WPGMEIQGVCNHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3N3O2S/c18-11-3-1-2-10(6-11)13-7-12(24-15(25)14-4-5-23-27-14)8-22-16(13)26-9-17(19,20)21/h1-8H,9H2,(H,24,25).
What are the key properties of N-[5-(3-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-thiazole-5-carboxamide?
N-[5-(3-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-thiazole-5-carboxamide has a molecular weight of 413.81 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 56961779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).