2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide

C15H15N5OS3 — CID 2224556

IUPAC2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCSc1ccccc1-n1nnnc1SCC(=O)NCc1cccs1
InChIInChI=1S/C15H15N5OS3/c1-22-13-7-3-2-6-12(13)20-15(17-18-19-20)24-10-14(21)16-9-11-5-4-8-23-11/h2-8H,9-10H2,1H3,(H,16,21)
InChIKeyKPWNGUAFUWNDIH-UHFFFAOYSA-N
MW377.52 g/mol
LogP2.85
Rot. Bonds7

About 2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide

2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 2224556) has the molecular formula C15H15N5OS3 and a molecular weight of 377.52 g/mol. Its IUPAC name is 2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID2224556
Molecular FormulaC15H15N5OS3
Molecular Weight377.52 g/mol
Exact Mass377.04
IUPAC Name2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCSc1ccccc1-n1nnnc1SCC(=O)NCc1cccs1
InChIInChI=1S/C15H15N5OS3/c1-22-13-7-3-2-6-12(13)20-15(17-18-19-20)24-10-14(21)16-9-11-5-4-8-23-11/h2-8H,9-10H2,1H3,(H,16,21)
InChIKeyKPWNGUAFUWNDIH-UHFFFAOYSA-N
XLogP2.85
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.52
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide (CID 2224556) is 2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide is CSc1ccccc1-n1nnnc1SCC(=O)NCc1cccs1.
What is the InChIKey of 2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is KPWNGUAFUWNDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS3/c1-22-13-7-3-2-6-12(13)20-15(17-18-19-20)24-10-14(21)16-9-11-5-4-8-23-11/h2-8H,9-10H2,1H3,(H,16,21).
What are the key properties of 2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 377.52 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 2224556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).