2-thiophen-2-yl-N-(2,3,4-trifluorophenyl)-1,3-thiazole-4-carboxamide

C14H7F3N2OS2 — CID 27826298

IUPAC2-thiophen-2-yl-N-(2,3,4-trifluorophenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1csc(-c2cccs2)n1
InChIInChI=1S/C14H7F3N2OS2/c15-7-3-4-8(12(17)11(7)16)18-13(20)9-6-22-14(19-9)10-2-1-5-21-10/h1-6H,(H,18,20)
InChIKeyINUZJYYQFRFLMO-UHFFFAOYSA-N
MW340.35 g/mol
LogP4.54
Rot. Bonds3

About 2-thiophen-2-yl-N-(2,3,4-trifluorophenyl)-1,3-thiazole-4-carboxamide

2-thiophen-2-yl-N-(2,3,4-trifluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 27826298) has the molecular formula C14H7F3N2OS2 and a molecular weight of 340.35 g/mol. Its IUPAC name is 2-thiophen-2-yl-N-(2,3,4-trifluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-thiophen-2-yl-N-(2,3,4-trifluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID27826298
Molecular FormulaC14H7F3N2OS2
Molecular Weight340.35 g/mol
Exact Mass340.00
IUPAC Name2-thiophen-2-yl-N-(2,3,4-trifluorophenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1csc(-c2cccs2)n1
InChIInChI=1S/C14H7F3N2OS2/c15-7-3-4-8(12(17)11(7)16)18-13(20)9-6-22-14(19-9)10-2-1-5-21-10/h1-6H,(H,18,20)
InChIKeyINUZJYYQFRFLMO-UHFFFAOYSA-N
XLogP4.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 27773173
N-(5-fluoro-2-methylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9045051
N-(2-ethylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9047021
2-(2-aminoethyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazole-4-carboxamide
CID 66373606
N-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9043733
N-[4-(dimethylamino)-3,5-difluorophenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55907163
1-(4-chlorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]urea
CID 2743958
N-quinolin-8-yl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 17447095
methyl 4-methyl-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]benzoate
CID 9047543
N-[2-(4-carbamoylphenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 71142324
N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 49340132
N-[4-(cyclopropanecarbonylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 41266351

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-N-(2,3,4-trifluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-thiophen-2-yl-N-(2,3,4-trifluorophenyl)-1,3-thiazole-4-carboxamide (CID 27826298) is 2-thiophen-2-yl-N-(2,3,4-trifluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-thiophen-2-yl-N-(2,3,4-trifluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-thiophen-2-yl-N-(2,3,4-trifluorophenyl)-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(F)c(F)c1F)c1csc(-c2cccs2)n1.
What is the InChIKey of 2-thiophen-2-yl-N-(2,3,4-trifluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is INUZJYYQFRFLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3N2OS2/c15-7-3-4-8(12(17)11(7)16)18-13(20)9-6-22-14(19-9)10-2-1-5-21-10/h1-6H,(H,18,20).
What are the key properties of 2-thiophen-2-yl-N-(2,3,4-trifluorophenyl)-1,3-thiazole-4-carboxamide?
2-thiophen-2-yl-N-(2,3,4-trifluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 340.35 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-N-(2,3,4-trifluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 27826298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).