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

C10H7F3N2OS2 — CID 47120048

IUPAC2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCC(F)(F)F)c1csc(-c2ccsc2)n1
InChIInChI=1S/C10H7F3N2OS2/c11-10(12,13)5-14-8(16)7-4-18-9(15-7)6-1-2-17-3-6/h1-4H,5H2,(H,14,16)
InChIKeyNUHJDEWQUIBKLR-UHFFFAOYSA-N
MW292.31 g/mol
LogP3.16
Rot. Bonds3

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

2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide (PubChem CID 47120048) has the molecular formula C10H7F3N2OS2 and a molecular weight of 292.31 g/mol. Its IUPAC name is 2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
PubChem CID47120048
Molecular FormulaC10H7F3N2OS2
Molecular Weight292.31 g/mol
Exact Mass292.00
IUPAC Name2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCC(F)(F)F)c1csc(-c2ccsc2)n1
InChIInChI=1S/C10H7F3N2OS2/c11-10(12,13)5-14-8(16)7-4-18-9(15-7)6-1-2-17-3-6/h1-4H,5H2,(H,14,16)
InChIKeyNUHJDEWQUIBKLR-UHFFFAOYSA-N
XLogP3.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide (CID 47120048) is 2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide is O=C(NCC(F)(F)F)c1csc(-c2ccsc2)n1.
What is the InChIKey of 2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is NUHJDEWQUIBKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2OS2/c11-10(12,13)5-14-8(16)7-4-18-9(15-7)6-1-2-17-3-6/h1-4H,5H2,(H,14,16).
What are the key properties of 2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 292.31 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 47120048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).