N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide

C10H6F3N3OS — CID 84554131

IUPACN-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cn1)c1cscn1
InChIInChI=1S/C10H6F3N3OS/c11-10(12,13)6-1-2-8(14-3-6)16-9(17)7-4-18-5-15-7/h1-5H,(H,14,16,17)
InChIKeyYOIMWBUSZCXTIX-UHFFFAOYSA-N
MW273.24 g/mol
LogP2.81
Rot. Bonds2

About N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide

N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide (PubChem CID 84554131) has the molecular formula C10H6F3N3OS and a molecular weight of 273.24 g/mol. Its IUPAC name is N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide
PubChem CID84554131
Molecular FormulaC10H6F3N3OS
Molecular Weight273.24 g/mol
Exact Mass273.02
IUPAC NameN-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cn1)c1cscn1
InChIInChI=1S/C10H6F3N3OS/c11-10(12,13)6-1-2-8(14-3-6)16-9(17)7-4-18-5-15-7/h1-5H,(H,14,16,17)
InChIKeyYOIMWBUSZCXTIX-UHFFFAOYSA-N
XLogP2.81
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]-2-pyridinyl]-1,3-thiazole-4-carboxamide
CID 90144191
N-(5-fluoro-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 63235854
5-amino-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
CID 24896989
N-[5-[1-[3,5-bis(trifluoromethyl)phenyl]ethylcarbamothioylamino]-2-pyridinyl]-1,3-thiazole-4-carboxamide
CID 6915709
N-[5-[1-[3-(trifluoromethyl)phenyl]ethylcarbamoylamino]-2-pyridinyl]-1,3-thiazole-4-carboxamide
CID 141025170
N-(5-chloropyrazin-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 107595663
N-(5-bromopyrazin-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115692921
4-(4,4-dimethylpent-2-en-2-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide
CID 72568758
N-[5-[2-[[(2E,4Z)-6-fluoro-3-(trifluoromethyl)hepta-2,4,6-trienyl]amino]-2-oxoethyl]-2-pyridinyl]-1,3-thiazole-4-carboxamide
CID 90144342
N-(trifluoromethyl)-1,3-thiazole-4-carboxamide
CID 154068900
N-[5-[1-[4-chloro-3-(trifluoromethyl)phenyl]ethylcarbamoylamino]-2-pyridinyl]-1,3-thiazole-4-carboxamide
CID 141025171
N-[2-(4-chlorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 110462220

Frequently Asked Questions

What is the IUPAC name of N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide (CID 84554131) is N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(C(F)(F)F)cn1)c1cscn1.
What is the InChIKey of N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide?
The InChIKey is YOIMWBUSZCXTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3OS/c11-10(12,13)6-1-2-8(14-3-6)16-9(17)7-4-18-5-15-7/h1-5H,(H,14,16,17).
What are the key properties of N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide?
N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide has a molecular weight of 273.24 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 84554131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).