2-(1-methyltetrazol-5-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide

C11H10F3N5OS — CID 582166

IUPAC2-(1-methyltetrazol-5-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCn1nnnc1SCC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H10F3N5OS/c1-19-10(16-17-18-19)21-6-9(20)15-8-4-2-3-7(5-8)11(12,13)14/h2-5H,6H2,1H3,(H,15,20)
InChIKeyWYYOHIHESUZJDM-UHFFFAOYSA-N
MW317.30 g/mol
LogP1.96
Rot. Bonds4

About 2-(1-methyltetrazol-5-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide

2-(1-methyltetrazol-5-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 582166) has the molecular formula C11H10F3N5OS and a molecular weight of 317.30 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID582166
Molecular FormulaC11H10F3N5OS
Molecular Weight317.30 g/mol
Exact Mass317.06
IUPAC Name2-(1-methyltetrazol-5-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCn1nnnc1SCC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H10F3N5OS/c1-19-10(16-17-18-19)21-6-9(20)15-8-4-2-3-7(5-8)11(12,13)14/h2-5H,6H2,1H3,(H,15,20)
InChIKeyWYYOHIHESUZJDM-UHFFFAOYSA-N
XLogP1.96
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide (CID 582166) is 2-(1-methyltetrazol-5-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide is Cn1nnnc1SCC(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is WYYOHIHESUZJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5OS/c1-19-10(16-17-18-19)21-6-9(20)15-8-4-2-3-7(5-8)11(12,13)14/h2-5H,6H2,1H3,(H,15,20).
What are the key properties of 2-(1-methyltetrazol-5-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(1-methyltetrazol-5-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 317.30 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltetrazol-5-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 582166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).