N-[4-(furan-2-yl)-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide

C15H8F3N3O3S — CID 23144599

IUPACN-[4-(furan-2-yl)-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)c(C(=O)C(F)(F)F)s1)c1ccncc1
InChIInChI=1S/C15H8F3N3O3S/c16-15(17,18)12(22)11-10(9-2-1-7-24-9)20-14(25-11)21-13(23)8-3-5-19-6-4-8/h1-7H,(H,20,21,23)
InChIKeyWWAHNYKBYKDQJK-UHFFFAOYSA-N
MW367.31 g/mol
LogP3.80
Rot. Bonds4

About N-[4-(furan-2-yl)-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide

N-[4-(furan-2-yl)-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 23144599) has the molecular formula C15H8F3N3O3S and a molecular weight of 367.31 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
PubChem CID23144599
Molecular FormulaC15H8F3N3O3S
Molecular Weight367.31 g/mol
Exact Mass367.02
IUPAC NameN-[4-(furan-2-yl)-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)c(C(=O)C(F)(F)F)s1)c1ccncc1
InChIInChI=1S/C15H8F3N3O3S/c16-15(17,18)12(22)11-10(9-2-1-7-24-9)20-14(25-11)21-13(23)8-3-5-19-6-4-8/h1-7H,(H,20,21,23)
InChIKeyWWAHNYKBYKDQJK-UHFFFAOYSA-N
XLogP3.80
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.31
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(furan-2-yl)-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide with MolForge

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Related Compounds

Sipagladenant
CID 23144148
Furan-2-carboxylic acid (4-phenyl-5-pyridin-4-yl-thiazol-2-yl)-amide
CID 72197880
(2-(3,4-Difluorobenzylamino)-4-(furan-2-yl)thiazol-5-yl)(phenyl)methanone
CID 16050635
(4-(Furan-2-yl)-2-(furan-2-ylmethylamino)thiazol-5-yl)(phenyl)methanone
CID 25211167
(4-(Furan-2-yl)-2-(methylamino)thiazol-5-yl)(phenyl)methanone
CID 44581364
(4-(Furan-2-yl)-2-(isobutylamino)thiazol-5-yl)(phenyl)methanone
CID 44581365
(4-(Furan-2-yl)-2-(2-methoxyethylamino)thiazol-5-yl)(phenyl)methanone
CID 44581366
N-(2-(5-benzoyl-4-(furan-2-yl)thiazol-2-ylamino)ethyl)acetamide
CID 44581368
1-(4-(5-Benzoyl-4-(furan-2-yl)thiazol-2-ylamino)piperidin-1-yl)ethanone
CID 44581369
(4-(Furan-2-yl)-2-(3-phenylpropylamino)thiazol-5-yl)(phenyl)methanone
CID 44581429
4-methyl-2-(5-oxo-1-((5-(trifluoromethyl)furan-2-yl)methyl)-1H-1,2,4-triazol-4(5H)-yl)-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide
CID 59481269
N-(furan-2-ylmethyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 883342

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[4-(furan-2-yl)-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 23144599) is N-[4-(furan-2-yl)-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(furan-2-yl)-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(furan-2-yl)-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is O=C(Nc1nc(-c2ccco2)c(C(=O)C(F)(F)F)s1)c1ccncc1.
What is the InChIKey of N-[4-(furan-2-yl)-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is WWAHNYKBYKDQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3N3O3S/c16-15(17,18)12(22)11-10(9-2-1-7-24-9)20-14(25-11)21-13(23)8-3-5-19-6-4-8/h1-7H,(H,20,21,23).
What are the key properties of N-[4-(furan-2-yl)-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
N-[4-(furan-2-yl)-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 367.31 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 23144599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).