N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

C15H14F3N3O2S2 — CID 126778417

IUPACN-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCCN(CC(F)(F)F)C1=O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C15H14F3N3O2S2/c16-15(17,18)8-21-4-1-2-10(14(21)23)19-12(22)11-7-25-13(20-11)9-3-5-24-6-9/h3,5-7,10H,1-2,4,8H2,(H,19,22)
InChIKeyZOWKWYOEXFKCCT-UHFFFAOYSA-N
MW389.42 g/mol
LogP3.15
Rot. Bonds4

About N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 126778417) has the molecular formula C15H14F3N3O2S2 and a molecular weight of 389.42 g/mol. Its IUPAC name is N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
PubChem CID126778417
Molecular FormulaC15H14F3N3O2S2
Molecular Weight389.42 g/mol
Exact Mass389.05
IUPAC NameN-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCCN(CC(F)(F)F)C1=O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C15H14F3N3O2S2/c16-15(17,18)8-21-4-1-2-10(14(21)23)19-12(22)11-7-25-13(20-11)9-3-5-24-6-9/h3,5-7,10H,1-2,4,8H2,(H,19,22)
InChIKeyZOWKWYOEXFKCCT-UHFFFAOYSA-N
XLogP3.15
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (CID 126778417) is N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is O=C(NC1CCCN(CC(F)(F)F)C1=O)c1csc(-c2ccsc2)n1.
What is the InChIKey of N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is ZOWKWYOEXFKCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2S2/c16-15(17,18)8-21-4-1-2-10(14(21)23)19-12(22)11-7-25-13(20-11)9-3-5-24-6-9/h3,5-7,10H,1-2,4,8H2,(H,19,22).
What are the key properties of N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 126778417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).