2-(2-methyltetrazol-5-yl)-1-(3-methylthiophen-2-yl)ethanone

C9H10N4OS — CID 107063462

IUPAC2-(2-methyltetrazol-5-yl)-1-(3-methylthiophen-2-yl)ethanone
SMILESCc1ccsc1C(=O)Cc1nnn(C)n1
InChIInChI=1S/C9H10N4OS/c1-6-3-4-15-9(6)7(14)5-8-10-12-13(2)11-8/h3-4H,5H2,1-2H3
InChIKeyQRJSLFVJNVLCMJ-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.01
Rot. Bonds3

About 2-(2-methyltetrazol-5-yl)-1-(3-methylthiophen-2-yl)ethanone

2-(2-methyltetrazol-5-yl)-1-(3-methylthiophen-2-yl)ethanone (PubChem CID 107063462) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-(2-methyltetrazol-5-yl)-1-(3-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-methyltetrazol-5-yl)-1-(3-methylthiophen-2-yl)ethanone
PubChem CID107063462
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name2-(2-methyltetrazol-5-yl)-1-(3-methylthiophen-2-yl)ethanone
SMILESCc1ccsc1C(=O)Cc1nnn(C)n1
InChIInChI=1S/C9H10N4OS/c1-6-3-4-15-9(6)7(14)5-8-10-12-13(2)11-8/h3-4H,5H2,1-2H3
InChIKeyQRJSLFVJNVLCMJ-UHFFFAOYSA-N
XLogP1.01
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methyltetrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethanone
CID 107063268
1-(2,3-dimethylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063250
1-(3-methyl-4-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047405
1-(5-bromo-2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063415
1-(3-bromo-4-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063270
1-(5-chlorothiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063611
1-(5-methylfuran-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063527
1-(1-benzothiophen-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063264
1-(1,5-dimethylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063336
1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047088
1-[4-(aminomethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanone
CID 107061734
2-(2-methyltetrazol-5-yl)-1-(1H-pyrazol-4-yl)ethanone
CID 130573080

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyltetrazol-5-yl)-1-(3-methylthiophen-2-yl)ethanone?
The IUPAC name of 2-(2-methyltetrazol-5-yl)-1-(3-methylthiophen-2-yl)ethanone (CID 107063462) is 2-(2-methyltetrazol-5-yl)-1-(3-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-(2-methyltetrazol-5-yl)-1-(3-methylthiophen-2-yl)ethanone?
The canonical SMILES for 2-(2-methyltetrazol-5-yl)-1-(3-methylthiophen-2-yl)ethanone is Cc1ccsc1C(=O)Cc1nnn(C)n1.
What is the InChIKey of 2-(2-methyltetrazol-5-yl)-1-(3-methylthiophen-2-yl)ethanone?
The InChIKey is QRJSLFVJNVLCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-6-3-4-15-9(6)7(14)5-8-10-12-13(2)11-8/h3-4H,5H2,1-2H3.
What are the key properties of 2-(2-methyltetrazol-5-yl)-1-(3-methylthiophen-2-yl)ethanone?
2-(2-methyltetrazol-5-yl)-1-(3-methylthiophen-2-yl)ethanone has a molecular weight of 222.27 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyltetrazol-5-yl)-1-(3-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 107063462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).