2-(2-methyltetrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethanone

C10H8N4OS2 — CID 107063268

IUPAC2-(2-methyltetrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethanone
SMILESCn1nnc(CC(=O)c2cc3sccc3s2)n1
InChIInChI=1S/C10H8N4OS2/c1-14-12-10(11-13-14)4-6(15)8-5-9-7(17-8)2-3-16-9/h2-3,5H,4H2,1H3
InChIKeyQZXMSTHFKXFVRS-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.91
Rot. Bonds3

About 2-(2-methyltetrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethanone

2-(2-methyltetrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethanone (PubChem CID 107063268) has the molecular formula C10H8N4OS2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-(2-methyltetrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethanone.

Molecular Properties

Compound Name2-(2-methyltetrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethanone
PubChem CID107063268
Molecular FormulaC10H8N4OS2
Molecular Weight264.33 g/mol
Exact Mass264.01
IUPAC Name2-(2-methyltetrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethanone
SMILESCn1nnc(CC(=O)c2cc3sccc3s2)n1
InChIInChI=1S/C10H8N4OS2/c1-14-12-10(11-13-14)4-6(15)8-5-9-7(17-8)2-3-16-9/h2-3,5H,4H2,1H3
InChIKeyQZXMSTHFKXFVRS-UHFFFAOYSA-N
XLogP1.91
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
2-(2-methyl-1,2,4-triazol-3-yl)-1-thieno[3,2-b]thiophen-5-ylethanone
CID 114979871
1-(4-methoxythiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063206
2-bromo-1-thieno[3,2-b]thiophen-5-ylethanone
CID 80738942
2-(2,5-dimethylphenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
CID 80745092
2-(4-chlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
CID 80745581
2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-thieno[3,2-b]thiophen-5-ylethanone
CID 114981752
1-(1-benzothiophen-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063264
2-ethoxy-1-thieno[3,2-b]thiophen-5-ylethanone
CID 115782915
2-(2,5-difluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
CID 114964004
1-(3,4-difluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107046842

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyltetrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethanone?
The IUPAC name of 2-(2-methyltetrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethanone (CID 107063268) is 2-(2-methyltetrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethanone.
What is the SMILES notation for 2-(2-methyltetrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethanone?
The canonical SMILES for 2-(2-methyltetrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethanone is Cn1nnc(CC(=O)c2cc3sccc3s2)n1.
What is the InChIKey of 2-(2-methyltetrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethanone?
The InChIKey is QZXMSTHFKXFVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4OS2/c1-14-12-10(11-13-14)4-6(15)8-5-9-7(17-8)2-3-16-9/h2-3,5H,4H2,1H3.
What are the key properties of 2-(2-methyltetrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethanone?
2-(2-methyltetrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethanone has a molecular weight of 264.33 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyltetrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethanone is sourced from PubChem (CID 107063268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).