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

C14H14F3N3O2S2 — CID 86997213

IUPACN-[2-(dimethylamino)-2-oxoethyl]-2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C14H14F3N3O2S2/c1-19(2)11(21)5-20(8-14(15,16)17)13(22)10-7-24-12(18-10)9-3-4-23-6-9/h3-4,6-7H,5,8H2,1-2H3
InChIKeyYGGXMUXLWCYQEK-UHFFFAOYSA-N
MW377.41 g/mol
LogP2.96
Rot. Bonds5

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

N-[2-(dimethylamino)-2-oxoethyl]-2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide (PubChem CID 86997213) has the molecular formula C14H14F3N3O2S2 and a molecular weight of 377.41 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
PubChem CID86997213
Molecular FormulaC14H14F3N3O2S2
Molecular Weight377.41 g/mol
Exact Mass377.05
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C14H14F3N3O2S2/c1-19(2)11(21)5-20(8-14(15,16)17)13(22)10-7-24-12(18-10)9-3-4-23-6-9/h3-4,6-7H,5,8H2,1-2H3
InChIKeyYGGXMUXLWCYQEK-UHFFFAOYSA-N
XLogP2.96
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide (CID 86997213) is N-[2-(dimethylamino)-2-oxoethyl]-2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide is CN(C)C(=O)CN(CC(F)(F)F)C(=O)c1csc(-c2ccsc2)n1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is YGGXMUXLWCYQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2S2/c1-19(2)11(21)5-20(8-14(15,16)17)13(22)10-7-24-12(18-10)9-3-4-23-6-9/h3-4,6-7H,5,8H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
N-[2-(dimethylamino)-2-oxoethyl]-2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 377.41 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 86997213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).