2-tert-butyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide

C15H23F3N4OS — CID 120812251

IUPAC2-tert-butyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)NCC(N2CCNCC2)C(F)(F)F)s1
InChIInChI=1S/C15H23F3N4OS/c1-14(2,3)13-21-8-10(24-13)12(23)20-9-11(15(16,17)18)22-6-4-19-5-7-22/h8,11,19H,4-7,9H2,1-3H3,(H,20,23)
InChIKeyVSQLLEUNELUPKL-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.01
Rot. Bonds4

About 2-tert-butyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide

2-tert-butyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide (PubChem CID 120812251) has the molecular formula C15H23F3N4OS and a molecular weight of 364.44 g/mol. Its IUPAC name is 2-tert-butyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide
PubChem CID120812251
Molecular FormulaC15H23F3N4OS
Molecular Weight364.44 g/mol
Exact Mass364.15
IUPAC Name2-tert-butyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)NCC(N2CCNCC2)C(F)(F)F)s1
InChIInChI=1S/C15H23F3N4OS/c1-14(2,3)13-21-8-10(24-13)12(23)20-9-11(15(16,17)18)22-6-4-19-5-7-22/h8,11,19H,4-7,9H2,1-3H3,(H,20,23)
InChIKeyVSQLLEUNELUPKL-UHFFFAOYSA-N
XLogP2.01
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 120813543
4-tert-butyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120811336
4-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 120813533
4-acetyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120812517
2,5-dichloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-3-carboxamide
CID 120811653
5-bromo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide;dihydrochloride
CID 120811854
4-methyl-2-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide
CID 120812827
2-N-methyl-5-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2,5-dicarboxamide;hydrochloride
CID 120813656
1-tert-butyl-5-propan-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-3-carboxamide
CID 120812919
1-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrole-2-carboxamide
CID 120811321
4-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-3-carboxamide;hydrochloride
CID 120811888
5-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 120813048

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide (CID 120812251) is 2-tert-butyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide is CC(C)(C)c1ncc(C(=O)NCC(N2CCNCC2)C(F)(F)F)s1.
What is the InChIKey of 2-tert-butyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is VSQLLEUNELUPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N4OS/c1-14(2,3)13-21-8-10(24-13)12(23)20-9-11(15(16,17)18)22-6-4-19-5-7-22/h8,11,19H,4-7,9H2,1-3H3,(H,20,23).
What are the key properties of 2-tert-butyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide?
2-tert-butyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 364.44 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 120812251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).