N-(3-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide

C12H14FN5OS — CID 1452353

IUPACN-(3-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
SMILESCC(C)n1nnnc1SCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C12H14FN5OS/c1-8(2)18-12(15-16-17-18)20-7-11(19)14-10-5-3-4-9(13)6-10/h3-6,8H,7H2,1-2H3,(H,14,19)
InChIKeyWQQYMJYQKXVOAH-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.12
Rot. Bonds5

About N-(3-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide

N-(3-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide (PubChem CID 1452353) has the molecular formula C12H14FN5OS and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
PubChem CID1452353
Molecular FormulaC12H14FN5OS
Molecular Weight295.34 g/mol
Exact Mass295.09
IUPAC NameN-(3-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
SMILESCC(C)n1nnnc1SCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C12H14FN5OS/c1-8(2)18-12(15-16-17-18)20-7-11(19)14-10-5-3-4-9(13)6-10/h3-6,8H,7H2,1-2H3,(H,14,19)
InChIKeyWQQYMJYQKXVOAH-UHFFFAOYSA-N
XLogP2.12
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(3-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide (CID 1452353) is N-(3-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide is CC(C)n1nnnc1SCC(=O)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
The InChIKey is WQQYMJYQKXVOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5OS/c1-8(2)18-12(15-16-17-18)20-7-11(19)14-10-5-3-4-9(13)6-10/h3-6,8H,7H2,1-2H3,(H,14,19).
What are the key properties of N-(3-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
N-(3-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide has a molecular weight of 295.34 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 1452353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).