3-(tetrazol-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-carboxamide

C10H10N8OS — CID 103716375

IUPAC3-(tetrazol-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1sccc1-n1cnnn1)c1ncn[nH]1
InChIInChI=1S/C10H10N8OS/c1-6(9-11-4-12-15-9)14-10(19)8-7(2-3-20-8)18-5-13-16-17-18/h2-6H,1H3,(H,14,19)(H,11,12,15)
InChIKeyWBBZYWWPXQHEPW-UHFFFAOYSA-N
MW290.31 g/mol
LogP0.33
Rot. Bonds4

About 3-(tetrazol-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-carboxamide

3-(tetrazol-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-carboxamide (PubChem CID 103716375) has the molecular formula C10H10N8OS and a molecular weight of 290.31 g/mol. Its IUPAC name is 3-(tetrazol-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(tetrazol-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-carboxamide
PubChem CID103716375
Molecular FormulaC10H10N8OS
Molecular Weight290.31 g/mol
Exact Mass290.07
IUPAC Name3-(tetrazol-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1sccc1-n1cnnn1)c1ncn[nH]1
InChIInChI=1S/C10H10N8OS/c1-6(9-11-4-12-15-9)14-10(19)8-7(2-3-20-8)18-5-13-16-17-18/h2-6H,1H3,(H,14,19)(H,11,12,15)
InChIKeyWBBZYWWPXQHEPW-UHFFFAOYSA-N
XLogP0.33
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 50.33
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-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 3-(tetrazol-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-carboxamide (CID 103716375) is 3-(tetrazol-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-(tetrazol-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 3-(tetrazol-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-carboxamide is CC(NC(=O)c1sccc1-n1cnnn1)c1ncn[nH]1.
What is the InChIKey of 3-(tetrazol-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is WBBZYWWPXQHEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N8OS/c1-6(9-11-4-12-15-9)14-10(19)8-7(2-3-20-8)18-5-13-16-17-18/h2-6H,1H3,(H,14,19)(H,11,12,15).
What are the key properties of 3-(tetrazol-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-carboxamide?
3-(tetrazol-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 290.31 g/mol, XLogP of 0.33, 4 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-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 103716375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).