1,2,3-benzothiadiazole;1,3-thiazole

C9H7N3S2 — CID 158771206

IUPAC1,2,3-benzothiadiazole;1,3-thiazole
SMILESc1ccc2snnc2c1.c1cscn1
InChIInChI=1S/C6H4N2S.C3H3NS/c1-2-4-6-5(3-1)7-8-9-6;1-2-5-3-4-1/h1-4H;1-3H
InChIKeyIPWQZJHPNCEQRV-UHFFFAOYSA-N
MW221.31 g/mol
LogP2.83
Rot. Bonds

About 1,2,3-benzothiadiazole;1,3-thiazole

1,2,3-benzothiadiazole;1,3-thiazole (PubChem CID 158771206) has the molecular formula C9H7N3S2 and a molecular weight of 221.31 g/mol. Its IUPAC name is 1,2,3-benzothiadiazole;1,3-thiazole.

Molecular Properties

Compound Name1,2,3-benzothiadiazole;1,3-thiazole
PubChem CID158771206
Molecular FormulaC9H7N3S2
Molecular Weight221.31 g/mol
Exact Mass221.01
IUPAC Name1,2,3-benzothiadiazole;1,3-thiazole
SMILESc1ccc2snnc2c1.c1cscn1
InChIInChI=1S/C6H4N2S.C3H3NS/c1-2-4-6-5(3-1)7-8-9-6;1-2-5-3-4-1/h1-4H;1-3H
InChIKeyIPWQZJHPNCEQRV-UHFFFAOYSA-N
XLogP2.83
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-benzothiadiazole;1,3-thiazole?
The IUPAC name of 1,2,3-benzothiadiazole;1,3-thiazole (CID 158771206) is 1,2,3-benzothiadiazole;1,3-thiazole.
What is the SMILES notation for 1,2,3-benzothiadiazole;1,3-thiazole?
The canonical SMILES for 1,2,3-benzothiadiazole;1,3-thiazole is c1ccc2snnc2c1.c1cscn1.
What is the InChIKey of 1,2,3-benzothiadiazole;1,3-thiazole?
The InChIKey is IPWQZJHPNCEQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2S.C3H3NS/c1-2-4-6-5(3-1)7-8-9-6;1-2-5-3-4-1/h1-4H;1-3H.
What are the key properties of 1,2,3-benzothiadiazole;1,3-thiazole?
1,2,3-benzothiadiazole;1,3-thiazole has a molecular weight of 221.31 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-benzothiadiazole;1,3-thiazole is sourced from PubChem (CID 158771206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).