2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide

C10H8F3N5O2S — CID 1262812

IUPAC2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide
SMILESNC(=O)CSc1nnnn1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C10H8F3N5O2S/c11-10(12,13)20-7-3-1-6(2-4-7)18-9(15-16-17-18)21-5-8(14)19/h1-4H,5H2,(H2,14,19)
InChIKeyPZWJXYZSYKJCEF-UHFFFAOYSA-N
MW319.27 g/mol
LogP1.14
Rot. Bonds5

About 2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide

2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide (PubChem CID 1262812) has the molecular formula C10H8F3N5O2S and a molecular weight of 319.27 g/mol. Its IUPAC name is 2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide
PubChem CID1262812
Molecular FormulaC10H8F3N5O2S
Molecular Weight319.27 g/mol
Exact Mass319.04
IUPAC Name2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide
SMILESNC(=O)CSc1nnnn1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C10H8F3N5O2S/c11-10(12,13)20-7-3-1-6(2-4-7)18-9(15-16-17-18)21-5-8(14)19/h1-4H,5H2,(H2,14,19)
InChIKeyPZWJXYZSYKJCEF-UHFFFAOYSA-N
XLogP1.14
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of 2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide (CID 1262812) is 2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for 2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for 2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide is NC(=O)CSc1nnnn1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide?
The InChIKey is PZWJXYZSYKJCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N5O2S/c11-10(12,13)20-7-3-1-6(2-4-7)18-9(15-16-17-18)21-5-8(14)19/h1-4H,5H2,(H2,14,19).
What are the key properties of 2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide?
2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide has a molecular weight of 319.27 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 1262812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).