4,7-bis(1,3-thiazol-2-yl)-2,1,3-benzothiadiazole

C12H6N4S3 — CID 86064823

IUPAC4,7-bis(1,3-thiazol-2-yl)-2,1,3-benzothiadiazole
SMILESc1csc(-c2ccc(-c3nccs3)c3nsnc23)n1
InChIInChI=1S/C12H6N4S3/c1-2-8(12-14-4-6-18-12)10-9(15-19-16-10)7(1)11-13-3-5-17-11/h1-6H
InChIKeyWPIWNGCGHGRWDV-UHFFFAOYSA-N
MW302.41 g/mol
LogP3.94
Rot. Bonds2

About 4,7-bis(1,3-thiazol-2-yl)-2,1,3-benzothiadiazole

4,7-bis(1,3-thiazol-2-yl)-2,1,3-benzothiadiazole (PubChem CID 86064823) has the molecular formula C12H6N4S3 and a molecular weight of 302.41 g/mol. Its IUPAC name is 4,7-bis(1,3-thiazol-2-yl)-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name4,7-bis(1,3-thiazol-2-yl)-2,1,3-benzothiadiazole
PubChem CID86064823
Molecular FormulaC12H6N4S3
Molecular Weight302.41 g/mol
Exact Mass301.98
IUPAC Name4,7-bis(1,3-thiazol-2-yl)-2,1,3-benzothiadiazole
SMILESc1csc(-c2ccc(-c3nccs3)c3nsnc23)n1
InChIInChI=1S/C12H6N4S3/c1-2-8(12-14-4-6-18-12)10-9(15-19-16-10)7(1)11-13-3-5-17-11/h1-6H
InChIKeyWPIWNGCGHGRWDV-UHFFFAOYSA-N
XLogP3.94
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4,7-bis(1,3-thiazol-2-yl)-2,1,3-benzothiadiazole?
The IUPAC name of 4,7-bis(1,3-thiazol-2-yl)-2,1,3-benzothiadiazole (CID 86064823) is 4,7-bis(1,3-thiazol-2-yl)-2,1,3-benzothiadiazole.
What is the SMILES notation for 4,7-bis(1,3-thiazol-2-yl)-2,1,3-benzothiadiazole?
The canonical SMILES for 4,7-bis(1,3-thiazol-2-yl)-2,1,3-benzothiadiazole is c1csc(-c2ccc(-c3nccs3)c3nsnc23)n1.
What is the InChIKey of 4,7-bis(1,3-thiazol-2-yl)-2,1,3-benzothiadiazole?
The InChIKey is WPIWNGCGHGRWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6N4S3/c1-2-8(12-14-4-6-18-12)10-9(15-19-16-10)7(1)11-13-3-5-17-11/h1-6H.
What are the key properties of 4,7-bis(1,3-thiazol-2-yl)-2,1,3-benzothiadiazole?
4,7-bis(1,3-thiazol-2-yl)-2,1,3-benzothiadiazole has a molecular weight of 302.41 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-bis(1,3-thiazol-2-yl)-2,1,3-benzothiadiazole is sourced from PubChem (CID 86064823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).