N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide

C12H10F3N3O2S2 — CID 45497642

IUPACN-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide
SMILESO=C(Cc1csc(NC(=O)c2ccsc2)n1)NCC(F)(F)F
InChIInChI=1S/C12H10F3N3O2S2/c13-12(14,15)6-16-9(19)3-8-5-22-11(17-8)18-10(20)7-1-2-21-4-7/h1-2,4-5H,3,6H2,(H,16,19)(H,17,18,20)
InChIKeyHDNSUENXLGGNLX-UHFFFAOYSA-N
MW349.36 g/mol
LogP2.68
Rot. Bonds5

About N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide

N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide (PubChem CID 45497642) has the molecular formula C12H10F3N3O2S2 and a molecular weight of 349.36 g/mol. Its IUPAC name is N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide
PubChem CID45497642
Molecular FormulaC12H10F3N3O2S2
Molecular Weight349.36 g/mol
Exact Mass349.02
IUPAC NameN-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide
SMILESO=C(Cc1csc(NC(=O)c2ccsc2)n1)NCC(F)(F)F
InChIInChI=1S/C12H10F3N3O2S2/c13-12(14,15)6-16-9(19)3-8-5-22-11(17-8)18-10(20)7-1-2-21-4-7/h1-2,4-5H,3,6H2,(H,16,19)(H,17,18,20)
InChIKeyHDNSUENXLGGNLX-UHFFFAOYSA-N
XLogP2.68
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide?
The IUPAC name of N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide (CID 45497642) is N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide is O=C(Cc1csc(NC(=O)c2ccsc2)n1)NCC(F)(F)F.
What is the InChIKey of N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide?
The InChIKey is HDNSUENXLGGNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2S2/c13-12(14,15)6-16-9(19)3-8-5-22-11(17-8)18-10(20)7-1-2-21-4-7/h1-2,4-5H,3,6H2,(H,16,19)(H,17,18,20).
What are the key properties of N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide?
N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide has a molecular weight of 349.36 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazol-2-yl]thiophene-3-carboxamide is sourced from PubChem (CID 45497642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).