12-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-7λ6-thia-3,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),4,10,12-tetraene 7,7-dioxide

C15H11N7O2S2 — CID 75202820

IUPAC12-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-7λ6-thia-3,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),4,10,12-tetraene 7,7-dioxide
SMILESO=S1(=O)Nc2ccc(-c3nnc(-c4cccnc4)s3)nc2C2NN=CC21
InChIInChI=1S/C15H11N7O2S2/c23-26(24)11-7-17-19-13(11)12-9(22-26)3-4-10(18-12)15-21-20-14(25-15)8-2-1-5-16-6-8/h1-7,11,13,19,22H
InChIKeyBZOICRAZGWPBQS-UHFFFAOYSA-N
MW385.43 g/mol
LogP1.42
Rot. Bonds2

About 12-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-7λ6-thia-3,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),4,10,12-tetraene 7,7-dioxide

12-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-7λ6-thia-3,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),4,10,12-tetraene 7,7-dioxide (PubChem CID 75202820) has the molecular formula C15H11N7O2S2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 12-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-7λ6-thia-3,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),4,10,12-tetraene 7,7-dioxide.

Molecular Properties

Compound Name12-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-7λ6-thia-3,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),4,10,12-tetraene 7,7-dioxide
PubChem CID75202820
Molecular FormulaC15H11N7O2S2
Molecular Weight385.43 g/mol
Exact Mass385.04
IUPAC Name12-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-7λ6-thia-3,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),4,10,12-tetraene 7,7-dioxide
SMILESO=S1(=O)Nc2ccc(-c3nnc(-c4cccnc4)s3)nc2C2NN=CC21
InChIInChI=1S/C15H11N7O2S2/c23-26(24)11-7-17-19-13(11)12-9(22-26)3-4-10(18-12)15-21-20-14(25-15)8-2-1-5-16-6-8/h1-7,11,13,19,22H
InChIKeyBZOICRAZGWPBQS-UHFFFAOYSA-N
XLogP1.42
TPSA122.12 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 12-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-7λ6-thia-3,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),4,10,12-tetraene 7,7-dioxide with MolForge

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Related Compounds

9-methyl-13-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-8λ6-thia-3,5,9,14-tetrazatricyclo[8.4.0.02,7]tetradeca-1(10),2,4,6,11,13-hexaene 8,8-dioxide
CID 75202679
7-(1,3-dioxan-2-yl)-5-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)thieno[2,3-c]pyridine
CID 123823765
2-pyridin-3-yl-5-quinolin-6-yl-1,3,4-thiadiazole
CID 167901241
3-pyridin-3-yl-1H-pyridazin-6-one;hydrochloride
CID 126796349
3-methyl-5-pyridin-3-yl-1,2,4-thiadiazole
CID 14763500
N-ethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide
CID 1451861
3-phenyl-6-pyridin-3-ylpyridazine
CID 12712239
2-(1-methyl-4-pyrimidin-2-ylpyrrolo[3,2-c]pyridin-6-yl)-5-pyridin-3-yl-1,3,4-thiadiazole
CID 123918244
(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl) N,N-dimethylcarbamate
CID 67025846
S-methyl N-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)carbamothioate
CID 87085130
2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide
CID 23467885
4-pyridin-2-yl-6-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)thieno[3,2-c]pyridine
CID 123696099

Frequently Asked Questions

What is the IUPAC name of 12-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-7λ6-thia-3,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),4,10,12-tetraene 7,7-dioxide?
The IUPAC name of 12-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-7λ6-thia-3,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),4,10,12-tetraene 7,7-dioxide (CID 75202820) is 12-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-7λ6-thia-3,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),4,10,12-tetraene 7,7-dioxide.
What is the SMILES notation for 12-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-7λ6-thia-3,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),4,10,12-tetraene 7,7-dioxide?
The canonical SMILES for 12-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-7λ6-thia-3,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),4,10,12-tetraene 7,7-dioxide is O=S1(=O)Nc2ccc(-c3nnc(-c4cccnc4)s3)nc2C2NN=CC21.
What is the InChIKey of 12-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-7λ6-thia-3,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),4,10,12-tetraene 7,7-dioxide?
The InChIKey is BZOICRAZGWPBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N7O2S2/c23-26(24)11-7-17-19-13(11)12-9(22-26)3-4-10(18-12)15-21-20-14(25-15)8-2-1-5-16-6-8/h1-7,11,13,19,22H.
What are the key properties of 12-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-7λ6-thia-3,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),4,10,12-tetraene 7,7-dioxide?
12-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-7λ6-thia-3,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),4,10,12-tetraene 7,7-dioxide has a molecular weight of 385.43 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-7λ6-thia-3,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),4,10,12-tetraene 7,7-dioxide is sourced from PubChem (CID 75202820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).