2-(2H-tetrazol-5-yl)-N-(2-thiophen-2-ylethyl)acetamide

C9H11N5OS — CID 134861998

IUPAC2-(2H-tetrazol-5-yl)-N-(2-thiophen-2-ylethyl)acetamide
SMILESO=C(Cc1nn[nH]n1)NCCc1cccs1
InChIInChI=1S/C9H11N5OS/c15-9(6-8-11-13-14-12-8)10-4-3-7-2-1-5-16-7/h1-2,5H,3-4,6H2,(H,10,15)(H,11,12,13,14)
InChIKeyXLPFXSSVLGNBNF-UHFFFAOYSA-N
MW237.29 g/mol
LogP0.16
Rot. Bonds5

About 2-(2H-tetrazol-5-yl)-N-(2-thiophen-2-ylethyl)acetamide

2-(2H-tetrazol-5-yl)-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 134861998) has the molecular formula C9H11N5OS and a molecular weight of 237.29 g/mol. Its IUPAC name is 2-(2H-tetrazol-5-yl)-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2H-tetrazol-5-yl)-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID134861998
Molecular FormulaC9H11N5OS
Molecular Weight237.29 g/mol
Exact Mass237.07
IUPAC Name2-(2H-tetrazol-5-yl)-N-(2-thiophen-2-ylethyl)acetamide
SMILESO=C(Cc1nn[nH]n1)NCCc1cccs1
InChIInChI=1S/C9H11N5OS/c15-9(6-8-11-13-14-12-8)10-4-3-7-2-1-5-16-7/h1-2,5H,3-4,6H2,(H,10,15)(H,11,12,13,14)
InChIKeyXLPFXSSVLGNBNF-UHFFFAOYSA-N
XLogP0.16
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-tetrazol-5-yl)-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(2H-tetrazol-5-yl)-N-(2-thiophen-2-ylethyl)acetamide (CID 134861998) is 2-(2H-tetrazol-5-yl)-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(2H-tetrazol-5-yl)-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(2H-tetrazol-5-yl)-N-(2-thiophen-2-ylethyl)acetamide is O=C(Cc1nn[nH]n1)NCCc1cccs1.
What is the InChIKey of 2-(2H-tetrazol-5-yl)-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is XLPFXSSVLGNBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS/c15-9(6-8-11-13-14-12-8)10-4-3-7-2-1-5-16-7/h1-2,5H,3-4,6H2,(H,10,15)(H,11,12,13,14).
What are the key properties of 2-(2H-tetrazol-5-yl)-N-(2-thiophen-2-ylethyl)acetamide?
2-(2H-tetrazol-5-yl)-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 237.29 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-tetrazol-5-yl)-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 134861998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).