3-thieno[3,2-b]thiophen-5-yl-5-thiophen-2-yl-1H-1,2,4-triazole

C12H7N3S3 — CID 80745099

IUPAC3-thieno[3,2-b]thiophen-5-yl-5-thiophen-2-yl-1H-1,2,4-triazole
SMILESc1csc(-c2nc(-c3cc4sccc4s3)n[nH]2)c1
InChIInChI=1S/C12H7N3S3/c1-2-8(16-4-1)11-13-12(15-14-11)10-6-9-7(18-10)3-5-17-9/h1-6H,(H,13,14,15)
InChIKeyQATDSKATJMRQIG-UHFFFAOYSA-N
MW289.41 g/mol
LogP4.48
Rot. Bonds2

About 3-thieno[3,2-b]thiophen-5-yl-5-thiophen-2-yl-1H-1,2,4-triazole

3-thieno[3,2-b]thiophen-5-yl-5-thiophen-2-yl-1H-1,2,4-triazole (PubChem CID 80745099) has the molecular formula C12H7N3S3 and a molecular weight of 289.41 g/mol. Its IUPAC name is 3-thieno[3,2-b]thiophen-5-yl-5-thiophen-2-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-thieno[3,2-b]thiophen-5-yl-5-thiophen-2-yl-1H-1,2,4-triazole
PubChem CID80745099
Molecular FormulaC12H7N3S3
Molecular Weight289.41 g/mol
Exact Mass288.98
IUPAC Name3-thieno[3,2-b]thiophen-5-yl-5-thiophen-2-yl-1H-1,2,4-triazole
SMILESc1csc(-c2nc(-c3cc4sccc4s3)n[nH]2)c1
InChIInChI=1S/C12H7N3S3/c1-2-8(16-4-1)11-13-12(15-14-11)10-6-9-7(18-10)3-5-17-9/h1-6H,(H,13,14,15)
InChIKeyQATDSKATJMRQIG-UHFFFAOYSA-N
XLogP4.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1H-1,2,4-triazol-3-amine
CID 62794401
3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2-oxazole
CID 62733396
3-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5-thiophen-2-yl-1H-1,2,4-triazole
CID 81262002
3-(3,4-dimethylphenyl)-5-thiophen-2-yl-1H-1,2,4-triazole
CID 62732820
3-(2,5-dichlorophenyl)-5-thiophen-2-yl-1H-1,2,4-triazole
CID 63548676
3-(1-methylimidazol-4-yl)-5-thiophen-2-yl-1H-1,2,4-triazole
CID 107972890
3-[3-(3-bromophenyl)phenyl]-5-thiophen-2-yl-1H-1,2,4-triazole
CID 118577126
4-methyl-3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)aniline
CID 63654751
3-(4-bromo-3-chlorophenyl)-5-thiophen-2-yl-1H-1,2,4-triazole
CID 81294878
4-iodo-2-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)aniline
CID 63111672
3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole
CID 55111523
2-methyl-5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazine
CID 62735073

Frequently Asked Questions

What is the IUPAC name of 3-thieno[3,2-b]thiophen-5-yl-5-thiophen-2-yl-1H-1,2,4-triazole?
The IUPAC name of 3-thieno[3,2-b]thiophen-5-yl-5-thiophen-2-yl-1H-1,2,4-triazole (CID 80745099) is 3-thieno[3,2-b]thiophen-5-yl-5-thiophen-2-yl-1H-1,2,4-triazole.
What is the SMILES notation for 3-thieno[3,2-b]thiophen-5-yl-5-thiophen-2-yl-1H-1,2,4-triazole?
The canonical SMILES for 3-thieno[3,2-b]thiophen-5-yl-5-thiophen-2-yl-1H-1,2,4-triazole is c1csc(-c2nc(-c3cc4sccc4s3)n[nH]2)c1.
What is the InChIKey of 3-thieno[3,2-b]thiophen-5-yl-5-thiophen-2-yl-1H-1,2,4-triazole?
The InChIKey is QATDSKATJMRQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N3S3/c1-2-8(16-4-1)11-13-12(15-14-11)10-6-9-7(18-10)3-5-17-9/h1-6H,(H,13,14,15).
What are the key properties of 3-thieno[3,2-b]thiophen-5-yl-5-thiophen-2-yl-1H-1,2,4-triazole?
3-thieno[3,2-b]thiophen-5-yl-5-thiophen-2-yl-1H-1,2,4-triazole has a molecular weight of 289.41 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thieno[3,2-b]thiophen-5-yl-5-thiophen-2-yl-1H-1,2,4-triazole is sourced from PubChem (CID 80745099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).