1-(4-methoxythiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethanone

C9H10N4O2S — CID 107063206

IUPAC1-(4-methoxythiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCOc1csc(C(=O)Cc2nnn(C)n2)c1
InChIInChI=1S/C9H10N4O2S/c1-13-11-9(10-12-13)4-7(14)8-3-6(15-2)5-16-8/h3,5H,4H2,1-2H3
InChIKeyJPDLIFFWHKJWOP-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.71
Rot. Bonds4

About 1-(4-methoxythiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethanone

1-(4-methoxythiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107063206) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is 1-(4-methoxythiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-methoxythiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107063206
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC Name1-(4-methoxythiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCOc1csc(C(=O)Cc2nnn(C)n2)c1
InChIInChI=1S/C9H10N4O2S/c1-13-11-9(10-12-13)4-7(14)8-3-6(15-2)5-16-8/h3,5H,4H2,1-2H3
InChIKeyJPDLIFFWHKJWOP-UHFFFAOYSA-N
XLogP0.71
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2,5-dimethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063556
2-(2-methyltetrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethanone
CID 107063268
1-(4-chloro-2-methoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047688
1-(4-methoxythiophen-2-yl)-2-phenylethanone
CID 81123035
2-chloro-1-(4-methoxythiophen-2-yl)ethanone
CID 81140445
2-(2-methyltetrazol-5-yl)-1-(3-methylthiophen-2-yl)ethanone
CID 107063462
1-(5-chlorothiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063611
4-(4-methoxyphenyl)-1-(2-methyltetrazol-5-yl)butan-2-one
CID 107063228
2-(2-methyltetrazol-5-yl)-1-(1H-pyrazol-4-yl)ethanone
CID 130573080
2-(5-bromo-2-pyridinyl)-1-(4-methoxythiophen-2-yl)ethanone
CID 115801115
1-(1-benzothiophen-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063264
1-(4-methyl-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047055

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxythiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(4-methoxythiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethanone (CID 107063206) is 1-(4-methoxythiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(4-methoxythiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(4-methoxythiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethanone is COc1csc(C(=O)Cc2nnn(C)n2)c1.
What is the InChIKey of 1-(4-methoxythiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is JPDLIFFWHKJWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S/c1-13-11-9(10-12-13)4-7(14)8-3-6(15-2)5-16-8/h3,5H,4H2,1-2H3.
What are the key properties of 1-(4-methoxythiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethanone?
1-(4-methoxythiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 238.27 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxythiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107063206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).