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

C17H19F3N4OS — CID 120813543

IUPAC2-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C17H19F3N4OS/c18-17(19,20)14(24-8-6-21-7-9-24)11-22-15(25)13-10-23-16(26-13)12-4-2-1-3-5-12/h1-5,10,14,21H,6-9,11H2,(H,22,25)
InChIKeyKUXRYTCFKOWHSU-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.38
Rot. Bonds5

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

2-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide (PubChem CID 120813543) has the molecular formula C17H19F3N4OS and a molecular weight of 384.43 g/mol. Its IUPAC name is 2-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide
PubChem CID120813543
Molecular FormulaC17H19F3N4OS
Molecular Weight384.43 g/mol
Exact Mass384.12
IUPAC Name2-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C17H19F3N4OS/c18-17(19,20)14(24-8-6-21-7-9-24)11-22-15(25)13-10-23-16(26-13)12-4-2-1-3-5-12/h1-5,10,14,21H,6-9,11H2,(H,22,25)
InChIKeyKUXRYTCFKOWHSU-UHFFFAOYSA-N
XLogP2.38
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 120812251
5-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2-oxazole-3-carboxamide
CID 120811231
3-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide
CID 120813069
4-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyrrole-3-carboxamide
CID 120811961
4-methyl-2-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide
CID 120812827
2-anilino-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120811339
2,2-difluoro-2-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120811647
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-carboxamide;hydrochloride
CID 120811758
5-bromo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-2-carboxamide;dihydrochloride
CID 120811854
1-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrole-2-carboxamide
CID 120811321
4-hydroxy-1-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-3-carboxamide;hydrochloride
CID 120813824
2-prop-2-enoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120813289

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide (CID 120813543) is 2-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide is O=C(NCC(N1CCNCC1)C(F)(F)F)c1cnc(-c2ccccc2)s1.
What is the InChIKey of 2-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is KUXRYTCFKOWHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4OS/c18-17(19,20)14(24-8-6-21-7-9-24)11-22-15(25)13-10-23-16(26-13)12-4-2-1-3-5-12/h1-5,10,14,21H,6-9,11H2,(H,22,25).
What are the key properties of 2-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide?
2-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 384.43 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 120813543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).