2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide

C6H8F3N5OS — CID 2630167

IUPAC2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCn1nnnc1SCC(=O)NCC(F)(F)F
InChIInChI=1S/C6H8F3N5OS/c1-14-5(11-12-13-14)16-2-4(15)10-3-6(7,8)9/h2-3H2,1H3,(H,10,15)
InChIKeyVSOGGBGBELEBJX-UHFFFAOYSA-N
MW255.22 g/mol
LogP-0.02
Rot. Bonds4

About 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide

2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 2630167) has the molecular formula C6H8F3N5OS and a molecular weight of 255.22 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID2630167
Molecular FormulaC6H8F3N5OS
Molecular Weight255.22 g/mol
Exact Mass255.04
IUPAC Name2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCn1nnnc1SCC(=O)NCC(F)(F)F
InChIInChI=1S/C6H8F3N5OS/c1-14-5(11-12-13-14)16-2-4(15)10-3-6(7,8)9/h2-3H2,1H3,(H,10,15)
InChIKeyVSOGGBGBELEBJX-UHFFFAOYSA-N
XLogP-0.02
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 5-0.02
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-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide (CID 2630167) is 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide is Cn1nnnc1SCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is VSOGGBGBELEBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N5OS/c1-14-5(11-12-13-14)16-2-4(15)10-3-6(7,8)9/h2-3H2,1H3,(H,10,15).
What are the key properties of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 255.22 g/mol, XLogP of -0.02, 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-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 2630167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).