1-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone

C15H17F2N3OS2 — CID 49071081

IUPAC1-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone
SMILESO=C(Cc1csc(-c2ccsc2)n1)N1CCN(CC(F)F)CC1
InChIInChI=1S/C15H17F2N3OS2/c16-13(17)8-19-2-4-20(5-3-19)14(21)7-12-10-23-15(18-12)11-1-6-22-9-11/h1,6,9-10,13H,2-5,7-8H2
InChIKeyUGGKQNSTZGZATF-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.82
Rot. Bonds5

About 1-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone

1-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone (PubChem CID 49071081) has the molecular formula C15H17F2N3OS2 and a molecular weight of 357.45 g/mol. Its IUPAC name is 1-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone
PubChem CID49071081
Molecular FormulaC15H17F2N3OS2
Molecular Weight357.45 g/mol
Exact Mass357.08
IUPAC Name1-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone
SMILESO=C(Cc1csc(-c2ccsc2)n1)N1CCN(CC(F)F)CC1
InChIInChI=1S/C15H17F2N3OS2/c16-13(17)8-19-2-4-20(5-3-19)14(21)7-12-10-23-15(18-12)11-1-6-22-9-11/h1,6,9-10,13H,2-5,7-8H2
InChIKeyUGGKQNSTZGZATF-UHFFFAOYSA-N
XLogP2.82
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 45887477
(3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 97189230
2-(1,3-Thiazol-4-yl)-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
CID 138034147
1-[(2-Thiophen-3-yl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one
CID 30835750
1-[(2-Thiophen-3-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 35464889
(4-Methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 46531569
2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 47120048
[4-(2,2-Difluoroethyl)piperazin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone
CID 49071146
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 49073738
N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 52252995
N-cyclopropyl-N-(2,2-difluoroethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 53596639
2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 55535369

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone (CID 49071081) is 1-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone is O=C(Cc1csc(-c2ccsc2)n1)N1CCN(CC(F)F)CC1.
What is the InChIKey of 1-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone?
The InChIKey is UGGKQNSTZGZATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3OS2/c16-13(17)8-19-2-4-20(5-3-19)14(21)7-12-10-23-15(18-12)11-1-6-22-9-11/h1,6,9-10,13H,2-5,7-8H2.
What are the key properties of 1-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone?
1-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone has a molecular weight of 357.45 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 49071081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).