N-(2,5-difluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C10H9F2N5OS — CID 670674

IUPACN-(2,5-difluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C10H9F2N5OS/c1-17-10(14-15-16-17)19-5-9(18)13-8-4-6(11)2-3-7(8)12/h2-4H,5H2,1H3,(H,13,18)
InChIKeyOPQQEQOCDUNACR-UHFFFAOYSA-N
MW285.28 g/mol
LogP1.22
Rot. Bonds4

About N-(2,5-difluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-(2,5-difluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 670674) has the molecular formula C10H9F2N5OS and a molecular weight of 285.28 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID670674
Molecular FormulaC10H9F2N5OS
Molecular Weight285.28 g/mol
Exact Mass285.05
IUPAC NameN-(2,5-difluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C10H9F2N5OS/c1-17-10(14-15-16-17)19-5-9(18)13-8-4-6(11)2-3-7(8)12/h2-4H,5H2,1H3,(H,13,18)
InChIKeyOPQQEQOCDUNACR-UHFFFAOYSA-N
XLogP1.22
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 670674) is N-(2,5-difluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is Cn1nnnc1SCC(=O)Nc1cc(F)ccc1F.
What is the InChIKey of N-(2,5-difluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is OPQQEQOCDUNACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N5OS/c1-17-10(14-15-16-17)19-5-9(18)13-8-4-6(11)2-3-7(8)12/h2-4H,5H2,1H3,(H,13,18).
What are the key properties of N-(2,5-difluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-(2,5-difluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 285.28 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 670674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).