N-(4-fluorophenyl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide

C12H14FN5OS — CID 644910

IUPACN-(4-fluorophenyl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide
SMILESCCCn1nnnc1SCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H14FN5OS/c1-2-7-18-12(15-16-17-18)20-8-11(19)14-10-5-3-9(13)4-6-10/h3-6H,2,7-8H2,1H3,(H,14,19)
InChIKeySZEUUBATKWJWPH-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.95
Rot. Bonds6

About N-(4-fluorophenyl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide

N-(4-fluorophenyl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide (PubChem CID 644910) has the molecular formula C12H14FN5OS and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide
PubChem CID644910
Molecular FormulaC12H14FN5OS
Molecular Weight295.34 g/mol
Exact Mass295.09
IUPAC NameN-(4-fluorophenyl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide
SMILESCCCn1nnnc1SCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H14FN5OS/c1-2-7-18-12(15-16-17-18)20-8-11(19)14-10-5-3-9(13)4-6-10/h3-6H,2,7-8H2,1H3,(H,14,19)
InChIKeySZEUUBATKWJWPH-UHFFFAOYSA-N
XLogP1.95
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide (CID 644910) is N-(4-fluorophenyl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide is CCCn1nnnc1SCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is SZEUUBATKWJWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5OS/c1-2-7-18-12(15-16-17-18)20-8-11(19)14-10-5-3-9(13)4-6-10/h3-6H,2,7-8H2,1H3,(H,14,19).
What are the key properties of N-(4-fluorophenyl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide?
N-(4-fluorophenyl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 295.34 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(1-propyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 644910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).