3-(tetrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide

C13H16F3N7OS — CID 120813693

IUPAC3-(tetrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)c1sccc1-n1cnnn1
InChIInChI=1S/C13H16F3N7OS/c14-13(15,16)10(22-4-2-17-3-5-22)7-18-12(24)11-9(1-6-25-11)23-8-19-20-21-23/h1,6,8,10,17H,2-5,7H2,(H,18,24)
InChIKeyGOOHXAFWSWLQGI-UHFFFAOYSA-N
MW375.38 g/mol
LogP0.29
Rot. Bonds5

About 3-(tetrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide

3-(tetrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide (PubChem CID 120813693) has the molecular formula C13H16F3N7OS and a molecular weight of 375.38 g/mol. Its IUPAC name is 3-(tetrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(tetrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide
PubChem CID120813693
Molecular FormulaC13H16F3N7OS
Molecular Weight375.38 g/mol
Exact Mass375.11
IUPAC Name3-(tetrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)c1sccc1-n1cnnn1
InChIInChI=1S/C13H16F3N7OS/c14-13(15,16)10(22-4-2-17-3-5-22)7-18-12(24)11-9(1-6-25-11)23-8-19-20-21-23/h1,6,8,10,17H,2-5,7H2,(H,18,24)
InChIKeyGOOHXAFWSWLQGI-UHFFFAOYSA-N
XLogP0.29
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(tetrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide?
The IUPAC name of 3-(tetrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide (CID 120813693) is 3-(tetrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-(tetrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide?
The canonical SMILES for 3-(tetrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide is O=C(NCC(N1CCNCC1)C(F)(F)F)c1sccc1-n1cnnn1.
What is the InChIKey of 3-(tetrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide?
The InChIKey is GOOHXAFWSWLQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N7OS/c14-13(15,16)10(22-4-2-17-3-5-22)7-18-12(24)11-9(1-6-25-11)23-8-19-20-21-23/h1,6,8,10,17H,2-5,7H2,(H,18,24).
What are the key properties of 3-(tetrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide?
3-(tetrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide has a molecular weight of 375.38 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tetrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 120813693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).