1,2-benzothiazole;1,2-thiazole

C10H8N2S2 — CID 70614342

IUPAC1,2-benzothiazole;1,2-thiazole
SMILESc1ccc2sncc2c1.c1cnsc1
InChIInChI=1S/C7H5NS.C3H3NS/c1-2-4-7-6(3-1)5-8-9-7;1-2-4-5-3-1/h1-5H;1-3H
InChIKeyQRQKHIPLXCALHB-UHFFFAOYSA-N
MW220.32 g/mol
LogP3.44
Rot. Bonds

About 1,2-benzothiazole;1,2-thiazole

1,2-benzothiazole;1,2-thiazole (PubChem CID 70614342) has the molecular formula C10H8N2S2 and a molecular weight of 220.32 g/mol. Its IUPAC name is 1,2-benzothiazole;1,2-thiazole.

Molecular Properties

Compound Name1,2-benzothiazole;1,2-thiazole
PubChem CID70614342
Molecular FormulaC10H8N2S2
Molecular Weight220.32 g/mol
Exact Mass220.01
IUPAC Name1,2-benzothiazole;1,2-thiazole
SMILESc1ccc2sncc2c1.c1cnsc1
InChIInChI=1S/C7H5NS.C3H3NS/c1-2-4-7-6(3-1)5-8-9-7;1-2-4-5-3-1/h1-5H;1-3H
InChIKeyQRQKHIPLXCALHB-UHFFFAOYSA-N
XLogP3.44
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-benzothiazole;1,2-thiazole?
The IUPAC name of 1,2-benzothiazole;1,2-thiazole (CID 70614342) is 1,2-benzothiazole;1,2-thiazole.
What is the SMILES notation for 1,2-benzothiazole;1,2-thiazole?
The canonical SMILES for 1,2-benzothiazole;1,2-thiazole is c1ccc2sncc2c1.c1cnsc1.
What is the InChIKey of 1,2-benzothiazole;1,2-thiazole?
The InChIKey is QRQKHIPLXCALHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NS.C3H3NS/c1-2-4-7-6(3-1)5-8-9-7;1-2-4-5-3-1/h1-5H;1-3H.
What are the key properties of 1,2-benzothiazole;1,2-thiazole?
1,2-benzothiazole;1,2-thiazole has a molecular weight of 220.32 g/mol, XLogP of 3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-benzothiazole;1,2-thiazole is sourced from PubChem (CID 70614342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).