2-(2-methylpropyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide

C15H23F3N4OS — CID 120811805

IUPAC2-(2-methylpropyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)Cc1nc(C(=O)NCC(N2CCNCC2)C(F)(F)F)cs1
InChIInChI=1S/C15H23F3N4OS/c1-10(2)7-13-21-11(9-24-13)14(23)20-8-12(15(16,17)18)22-5-3-19-4-6-22/h9-10,12,19H,3-8H2,1-2H3,(H,20,23)
InChIKeyQBFMXEXDHLAXLX-UHFFFAOYSA-N
MW364.44 g/mol
LogP1.91
Rot. Bonds6

About 2-(2-methylpropyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide

2-(2-methylpropyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide (PubChem CID 120811805) has the molecular formula C15H23F3N4OS and a molecular weight of 364.44 g/mol. Its IUPAC name is 2-(2-methylpropyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-methylpropyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide
PubChem CID120811805
Molecular FormulaC15H23F3N4OS
Molecular Weight364.44 g/mol
Exact Mass364.15
IUPAC Name2-(2-methylpropyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)Cc1nc(C(=O)NCC(N2CCNCC2)C(F)(F)F)cs1
InChIInChI=1S/C15H23F3N4OS/c1-10(2)7-13-21-11(9-24-13)14(23)20-8-12(15(16,17)18)22-5-3-19-4-6-22/h9-10,12,19H,3-8H2,1-2H3,(H,20,23)
InChIKeyQBFMXEXDHLAXLX-UHFFFAOYSA-N
XLogP1.91
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-thiophen-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120811834
2-(furan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120811820
6-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide;dihydrochloride
CID 120811330
5-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 120813048
4-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 120813533
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
N-[2-(methylamino)propyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 120829137
1-tert-butyl-5-propan-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-3-carboxamide
CID 120812919
4-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-3-carboxamide;hydrochloride
CID 120811888
3-bromo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide
CID 120813763

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-methylpropyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide (CID 120811805) is 2-(2-methylpropyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-methylpropyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-methylpropyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide is CC(C)Cc1nc(C(=O)NCC(N2CCNCC2)C(F)(F)F)cs1.
What is the InChIKey of 2-(2-methylpropyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is QBFMXEXDHLAXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N4OS/c1-10(2)7-13-21-11(9-24-13)14(23)20-8-12(15(16,17)18)22-5-3-19-4-6-22/h9-10,12,19H,3-8H2,1-2H3,(H,20,23).
What are the key properties of 2-(2-methylpropyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide?
2-(2-methylpropyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 364.44 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120811805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).