2-thiophen-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride

C15H19Cl2F3N4OS2 — CID 120811834

IUPAC2-thiophen-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC(N1CCNCC1)C(F)(F)F)c1csc(-c2cccs2)n1
InChIInChI=1S/C15H17F3N4OS2.2ClH/c16-15(17,18)12(22-5-3-19-4-6-22)8-20-13(23)10-9-25-14(21-10)11-2-1-7-24-11;;/h1-2,7,9,12,19H,3-6,8H2,(H,20,23);2*1H
InChIKeyLVRSUHRXXRFJSR-UHFFFAOYSA-N
MW463.38 g/mol
LogP3.28
Rot. Bonds5

About 2-thiophen-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride

2-thiophen-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 120811834) has the molecular formula C15H19Cl2F3N4OS2 and a molecular weight of 463.38 g/mol. Its IUPAC name is 2-thiophen-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-thiophen-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID120811834
Molecular FormulaC15H19Cl2F3N4OS2
Molecular Weight463.38 g/mol
Exact Mass462.03
IUPAC Name2-thiophen-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC(N1CCNCC1)C(F)(F)F)c1csc(-c2cccs2)n1
InChIInChI=1S/C15H17F3N4OS2.2ClH/c16-15(17,18)12(22-5-3-19-4-6-22)8-20-13(23)10-9-25-14(21-10)11-2-1-7-24-11;;/h1-2,7,9,12,19H,3-6,8H2,(H,20,23);2*1H
InChIKeyLVRSUHRXXRFJSR-UHFFFAOYSA-N
XLogP3.28
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.38
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(furan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120811820
2-(2-methylpropyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 120811805
6-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide;dihydrochloride
CID 120811330
5-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2-oxazole-3-carboxamide
CID 120811231
3-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride
CID 120812450
6-(pyrrolidine-1-carbonyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide
CID 120812339
3-bromo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide
CID 120813763
3-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide
CID 120813069
5-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 120813048
N-(2-amino-2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119630453
5-bromo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide;dihydrochloride
CID 120811854
4-tert-butyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120811336

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-thiophen-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride (CID 120811834) is 2-thiophen-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-thiophen-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-thiophen-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride is Cl.Cl.O=C(NCC(N1CCNCC1)C(F)(F)F)c1csc(-c2cccs2)n1.
What is the InChIKey of 2-thiophen-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is LVRSUHRXXRFJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4OS2.2ClH/c16-15(17,18)12(22-5-3-19-4-6-22)8-20-13(23)10-9-25-14(21-10)11-2-1-7-24-11;;/h1-2,7,9,12,19H,3-6,8H2,(H,20,23);2*1H.
What are the key properties of 2-thiophen-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
2-thiophen-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 463.38 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120811834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).