2-(1-methyltetrazol-5-yl)sulfanyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole

C11H8N8S2 — CID 133462759

IUPAC2-(1-methyltetrazol-5-yl)sulfanyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCn1nnnc1Sc1nn2cc(-c3cccnc3)nc2s1
InChIInChI=1S/C11H8N8S2/c1-18-10(14-16-17-18)21-11-15-19-6-8(13-9(19)20-11)7-3-2-4-12-5-7/h2-6H,1H3
InChIKeyUNYFWQFJUXJYKR-UHFFFAOYSA-N
MW316.38 g/mol
LogP1.53
Rot. Bonds3

About 2-(1-methyltetrazol-5-yl)sulfanyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole

2-(1-methyltetrazol-5-yl)sulfanyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 133462759) has the molecular formula C11H8N8S2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)sulfanyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)sulfanyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID133462759
Molecular FormulaC11H8N8S2
Molecular Weight316.38 g/mol
Exact Mass316.03
IUPAC Name2-(1-methyltetrazol-5-yl)sulfanyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCn1nnnc1Sc1nn2cc(-c3cccnc3)nc2s1
InChIInChI=1S/C11H8N8S2/c1-18-10(14-16-17-18)21-11-15-19-6-8(13-9(19)20-11)7-3-2-4-12-5-7/h2-6H,1H3
InChIKeyUNYFWQFJUXJYKR-UHFFFAOYSA-N
XLogP1.53
TPSA86.68 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

2-(1-phenyltetrazol-5-yl)sulfanyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 133462564
6-(4-chlorophenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]imidazo[2,1-b][1,3,4]thiadiazole
CID 133494782
N-phenyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133462554
N-(3,5-dimethylphenyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133462718
N-prop-2-ynyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133481591
2-(1-methyltetrazol-5-yl)sulfanyl-1,3-benzothiazole
CID 18707851
3-methyl-1-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-one
CID 133497389
1-[4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]ethanone
CID 133462572
2-(4-chlorophenoxy)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 133462585
2-(4-phenylpiperazin-1-yl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 133462553
N-[(3,4-dimethoxyphenyl)methyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133462771
2-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]butan-1-ol
CID 133462654

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole (CID 133462759) is 2-(1-methyltetrazol-5-yl)sulfanyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)sulfanyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)sulfanyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole is Cn1nnnc1Sc1nn2cc(-c3cccnc3)nc2s1.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)sulfanyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is UNYFWQFJUXJYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N8S2/c1-18-10(14-16-17-18)21-11-15-19-6-8(13-9(19)20-11)7-3-2-4-12-5-7/h2-6H,1H3.
What are the key properties of 2-(1-methyltetrazol-5-yl)sulfanyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole?
2-(1-methyltetrazol-5-yl)sulfanyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 316.38 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltetrazol-5-yl)sulfanyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 133462759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).