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

C11H15N5OS2 — CID 649442

IUPAC2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(C)n1nnnc1SCC(=O)NCc1cccs1
InChIInChI=1S/C11H15N5OS2/c1-8(2)16-11(13-14-15-16)19-7-10(17)12-6-9-4-3-5-18-9/h3-5,8H,6-7H2,1-2H3,(H,12,17)
InChIKeySENQRZNAZUBHRQ-UHFFFAOYSA-N
MW297.41 g/mol
LogP1.72
Rot. Bonds6

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

2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 649442) has the molecular formula C11H15N5OS2 and a molecular weight of 297.41 g/mol. Its IUPAC name is 2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID649442
Molecular FormulaC11H15N5OS2
Molecular Weight297.41 g/mol
Exact Mass297.07
IUPAC Name2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(C)n1nnnc1SCC(=O)NCc1cccs1
InChIInChI=1S/C11H15N5OS2/c1-8(2)16-11(13-14-15-16)19-7-10(17)12-6-9-4-3-5-18-9/h3-5,8H,6-7H2,1-2H3,(H,12,17)
InChIKeySENQRZNAZUBHRQ-UHFFFAOYSA-N
XLogP1.72
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 1383755
2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-N-thiophen-2-ylmethyl-acetamide
CID 655634
2-(1-Propyl-1H-tetrazol-5-ylsulfanyl)-N-thiophen-2-ylmethyl-acetamide
CID 655852
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 1440820
N-cyclopropyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 6468272
N-methyl-2-(1-methyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 2439149
2-(1-Methyl-1H-tetrazol-5-ylsulfanyl)-N-thiophen-2-ylmethyl-acetamide
CID 1081025
1-butyl-N-(thiophen-2-ylmethyl)tetrazol-5-amine
CID 1817890
2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-ylacetamide
CID 2450517
US11845767, Example 265
CID 170795364
N-(thiophen-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 40560096
1-ethyl-N-(thiophen-2-ylmethyl)-1H-tetrazol-5-amine
CID 4727449

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide (CID 649442) is 2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide is CC(C)n1nnnc1SCC(=O)NCc1cccs1.
What is the InChIKey of 2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is SENQRZNAZUBHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS2/c1-8(2)16-11(13-14-15-16)19-7-10(17)12-6-9-4-3-5-18-9/h3-5,8H,6-7H2,1-2H3,(H,12,17).
What are the key properties of 2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 297.41 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 649442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).