2,5-dichloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-3-carboxamide

C12H14Cl2F3N3OS — CID 120811653

IUPAC2,5-dichloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-3-carboxamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H14Cl2F3N3OS/c13-9-5-7(10(14)22-9)11(21)19-6-8(12(15,16)17)20-3-1-18-2-4-20/h5,8,18H,1-4,6H2,(H,19,21)
InChIKeyNRIYGNTUGKOWEX-UHFFFAOYSA-N
MW376.23 g/mol
LogP2.62
Rot. Bonds4

About 2,5-dichloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-3-carboxamide

2,5-dichloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-3-carboxamide (PubChem CID 120811653) has the molecular formula C12H14Cl2F3N3OS and a molecular weight of 376.23 g/mol. Its IUPAC name is 2,5-dichloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-3-carboxamide
PubChem CID120811653
Molecular FormulaC12H14Cl2F3N3OS
Molecular Weight376.23 g/mol
Exact Mass375.02
IUPAC Name2,5-dichloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-3-carboxamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H14Cl2F3N3OS/c13-9-5-7(10(14)22-9)11(21)19-6-8(12(15,16)17)20-3-1-18-2-4-20/h5,8,18H,1-4,6H2,(H,19,21)
InChIKeyNRIYGNTUGKOWEX-UHFFFAOYSA-N
XLogP2.62
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.23
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-fluoro-5-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120813211
4-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-3-carboxamide;hydrochloride
CID 120811888
2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120813497
2-bromo-5-fluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120810815
2,3,4-trifluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120811198
5-bromo-2-fluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120813796
2,5-dimethyl-1-propan-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrole-3-carboxamide;hydrochloride
CID 120813412
2-(4-chlorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120811781
2-propan-2-ylsulfanyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120813410
4-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyrrole-3-carboxamide
CID 120811961
2,6-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide
CID 120811797
2-anilino-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120811339

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-3-carboxamide (CID 120811653) is 2,5-dichloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-3-carboxamide is O=C(NCC(N1CCNCC1)C(F)(F)F)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-3-carboxamide?
The InChIKey is NRIYGNTUGKOWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2F3N3OS/c13-9-5-7(10(14)22-9)11(21)19-6-8(12(15,16)17)20-3-1-18-2-4-20/h5,8,18H,1-4,6H2,(H,19,21).
What are the key properties of 2,5-dichloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-3-carboxamide?
2,5-dichloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-3-carboxamide has a molecular weight of 376.23 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-3-carboxamide is sourced from PubChem (CID 120811653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).