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

C15H23F3N4O2S — CID 120810583

IUPAC2-(1-ethoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide
SMILESCCOC(C)c1ncc(C(=O)NCC(N2CCNCC2)C(F)(F)F)s1
InChIInChI=1S/C15H23F3N4O2S/c1-3-24-10(2)14-21-8-11(25-14)13(23)20-9-12(15(16,17)18)22-6-4-19-5-7-22/h8,10,12,19H,3-7,9H2,1-2H3,(H,20,23)
InChIKeyNQMLVATYSRWDEQ-UHFFFAOYSA-N
MW380.44 g/mol
LogP1.81
Rot. Bonds7

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

2-(1-ethoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide (PubChem CID 120810583) has the molecular formula C15H23F3N4O2S and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-(1-ethoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(1-ethoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide
PubChem CID120810583
Molecular FormulaC15H23F3N4O2S
Molecular Weight380.44 g/mol
Exact Mass380.15
IUPAC Name2-(1-ethoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide
SMILESCCOC(C)c1ncc(C(=O)NCC(N2CCNCC2)C(F)(F)F)s1
InChIInChI=1S/C15H23F3N4O2S/c1-3-24-10(2)14-21-8-11(25-14)13(23)20-9-12(15(16,17)18)22-6-4-19-5-7-22/h8,10,12,19H,3-7,9H2,1-2H3,(H,20,23)
InChIKeyNQMLVATYSRWDEQ-UHFFFAOYSA-N
XLogP1.81
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(1-ethoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide (CID 120810583) is 2-(1-ethoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(1-ethoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(1-ethoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide is CCOC(C)c1ncc(C(=O)NCC(N2CCNCC2)C(F)(F)F)s1.
What is the InChIKey of 2-(1-ethoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is NQMLVATYSRWDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N4O2S/c1-3-24-10(2)14-21-8-11(25-14)13(23)20-9-12(15(16,17)18)22-6-4-19-5-7-22/h8,10,12,19H,3-7,9H2,1-2H3,(H,20,23).
What are the key properties of 2-(1-ethoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide?
2-(1-ethoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 120810583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).