7-(3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine

C14H7N3S3 — CID 139212089

IUPAC7-(3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine
SMILESc1cc2c(s1)-c1sc(-c3cncc4nsnc34)cc1C2
InChIInChI=1S/C14H7N3S3/c1-2-18-13-7(1)3-8-4-11(19-14(8)13)9-5-15-6-10-12(9)17-20-16-10/h1-2,4-6H,3H2
InChIKeyRTQDFCMZLWMKJJ-UHFFFAOYSA-N
MW313.43 g/mol
LogP4.45
Rot. Bonds1

About 7-(3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine

7-(3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine (PubChem CID 139212089) has the molecular formula C14H7N3S3 and a molecular weight of 313.43 g/mol. Its IUPAC name is 7-(3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine.

Molecular Properties

Compound Name7-(3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine
PubChem CID139212089
Molecular FormulaC14H7N3S3
Molecular Weight313.43 g/mol
Exact Mass312.98
IUPAC Name7-(3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine
SMILESc1cc2c(s1)-c1sc(-c3cncc4nsnc34)cc1C2
InChIInChI=1S/C14H7N3S3/c1-2-18-13-7(1)3-8-4-11(19-14(8)13)9-5-15-6-10-12(9)17-20-16-10/h1-2,4-6H,3H2
InChIKeyRTQDFCMZLWMKJJ-UHFFFAOYSA-N
XLogP4.45
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-(3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine with MolForge

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Related Compounds

6-Thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridin-3-amine
CID 90467784
3-(4-Methylpiperazin-1-yl)-6-thiophen-3-yl-[1,2]thiazolo[4,3-b]pyridine
CID 117807197
1-Hydroxy-2-thiophen-2-ylpyrrolo[2,3-c]pyridine
CID 11458586
7-Bromo-4-(4,4-dihexadecyl-6-(tributylstannyl)-4H-cyclopenta[1,2-b:5,4-b']dithiophen-2-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine
CID 89286639
4,7-Bis(4-(2-ethylhexyl)thiophen-2-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine
CID 89503640
4,7-Dithiophen-2-yl-[1,2]thiazolo[4,5-c]pyridine
CID 91008808
7-Bromo-4-(7,7-dihexadecyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine
CID 101544510
2-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridine
CID 11356102
2-(2-Thienyl)-1H-pyrrolo[2,3-c]pyridine
CID 11356103
7-(3,11-Dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine-6-carbonitrile
CID 139212090
7-(7,7-Diethyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine
CID 139212091
7-(7,7-Diethyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-4-[7,7-diethyl-10-([1,2,5]thiadiazolo[3,4-c]pyridin-7-yl)-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-[1,2,5]thiadiazolo[3,4-c]pyridine
CID 139244328

Frequently Asked Questions

What is the IUPAC name of 7-(3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine?
The IUPAC name of 7-(3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine (CID 139212089) is 7-(3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine.
What is the SMILES notation for 7-(3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine?
The canonical SMILES for 7-(3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine is c1cc2c(s1)-c1sc(-c3cncc4nsnc34)cc1C2.
What is the InChIKey of 7-(3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine?
The InChIKey is RTQDFCMZLWMKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7N3S3/c1-2-18-13-7(1)3-8-4-11(19-14(8)13)9-5-15-6-10-12(9)17-20-16-10/h1-2,4-6H,3H2.
What are the key properties of 7-(3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine?
7-(3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine has a molecular weight of 313.43 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-[1,2,5]thiadiazolo[3,4-c]pyridine is sourced from PubChem (CID 139212089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).