1-(3-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone

C11H12N4O2S — CID 655955

IUPAC1-(3-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone
SMILESCOc1cccc(C(=O)CSc2nnnn2C)c1
InChIInChI=1S/C11H12N4O2S/c1-15-11(12-13-14-15)18-7-10(16)8-4-3-5-9(6-8)17-2/h3-6H,7H2,1-2H3
InChIKeyFNBYBHYGPUHWGT-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.19
Rot. Bonds5

About 1-(3-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone

1-(3-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone (PubChem CID 655955) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone
PubChem CID655955
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name1-(3-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone
SMILESCOc1cccc(C(=O)CSc2nnnn2C)c1
InChIInChI=1S/C11H12N4O2S/c1-15-11(12-13-14-15)18-7-10(16)8-4-3-5-9(6-8)17-2/h3-6H,7H2,1-2H3
InChIKeyFNBYBHYGPUHWGT-UHFFFAOYSA-N
XLogP1.19
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone
CID 3152695
1-(4-methoxyphenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)thio]ethanone
CID 585545
1-(2,5-Dimethoxy-phenyl)-2-(1-ethyl-1H-tetrazol-5-ylsulfanyl)-ethanone
CID 653900
1-(2,4-Dimethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone
CID 1147153
2-(1-Cyclohexyl-1H-tetrazol-5-ylsulfanyl)-1-(3-methoxy-phenyl)-ethanone
CID 1440817
2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-1-(3-methoxy-phenyl)-ethanone
CID 1452222
1-[4-(Difluoromethoxy)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 2343341
1-[5-chloro-2-(methyloxy)phenyl]-2-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]ethanone
CID 864613
1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-ethanone
CID 653053
1-(2,5-Dimethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone
CID 654501
1-(4-methoxy-3-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}phenyl)ethan-1-one
CID 2402666
1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-(1-ethyl-1H-tetrazol-5-ylsulfanyl)-ethanone
CID 3212920

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone?
The IUPAC name of 1-(3-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone (CID 655955) is 1-(3-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone?
The canonical SMILES for 1-(3-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone is COc1cccc(C(=O)CSc2nnnn2C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone?
The InChIKey is FNBYBHYGPUHWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-15-11(12-13-14-15)18-7-10(16)8-4-3-5-9(6-8)17-2/h3-6H,7H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone?
1-(3-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone has a molecular weight of 264.31 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone is sourced from PubChem (CID 655955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).