2-(1-methyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide

C9H11N5OS2 — CID 1081025

IUPAC2-(1-methyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCn1nnnc1SCC(=O)NCc1cccs1
InChIInChI=1S/C9H11N5OS2/c1-14-9(11-12-13-14)17-6-8(15)10-5-7-3-2-4-16-7/h2-4H,5-6H2,1H3,(H,10,15)
InChIKeyCSBOHJDLSLTANF-UHFFFAOYSA-N
MW269.36 g/mol
LogP0.68
Rot. Bonds5

About 2-(1-methyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide

2-(1-methyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 1081025) has the molecular formula C9H11N5OS2 and a molecular weight of 269.36 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID1081025
Molecular FormulaC9H11N5OS2
Molecular Weight269.36 g/mol
Exact Mass269.04
IUPAC Name2-(1-methyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCn1nnnc1SCC(=O)NCc1cccs1
InChIInChI=1S/C9H11N5OS2/c1-14-9(11-12-13-14)17-6-8(15)10-5-7-3-2-4-16-7/h2-4H,5-6H2,1H3,(H,10,15)
InChIKeyCSBOHJDLSLTANF-UHFFFAOYSA-N
XLogP0.68
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide (CID 1081025) is 2-(1-methyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide is Cn1nnnc1SCC(=O)NCc1cccs1.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is CSBOHJDLSLTANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS2/c1-14-9(11-12-13-14)17-6-8(15)10-5-7-3-2-4-16-7/h2-4H,5-6H2,1H3,(H,10,15).
What are the key properties of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
2-(1-methyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 269.36 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 1081025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).