2-methyl-6-(triazol-1-yl)-1,3-benzothiazole

C10H8N4S — CID 130377065

IUPAC2-methyl-6-(triazol-1-yl)-1,3-benzothiazole
SMILESCc1nc2ccc(-n3ccnn3)cc2s1
InChIInChI=1S/C10H8N4S/c1-7-12-9-3-2-8(6-10(9)15-7)14-5-4-11-13-14/h2-6H,1H3
InChIKeyQIVWRIWUNSKIPG-UHFFFAOYSA-N
MW216.27 g/mol
LogP2.19
Rot. Bonds1

About 2-methyl-6-(triazol-1-yl)-1,3-benzothiazole

2-methyl-6-(triazol-1-yl)-1,3-benzothiazole (PubChem CID 130377065) has the molecular formula C10H8N4S and a molecular weight of 216.27 g/mol. Its IUPAC name is 2-methyl-6-(triazol-1-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-methyl-6-(triazol-1-yl)-1,3-benzothiazole
PubChem CID130377065
Molecular FormulaC10H8N4S
Molecular Weight216.27 g/mol
Exact Mass216.05
IUPAC Name2-methyl-6-(triazol-1-yl)-1,3-benzothiazole
SMILESCc1nc2ccc(-n3ccnn3)cc2s1
InChIInChI=1S/C10H8N4S/c1-7-12-9-3-2-8(6-10(9)15-7)14-5-4-11-13-14/h2-6H,1H3
InChIKeyQIVWRIWUNSKIPG-UHFFFAOYSA-N
XLogP2.19
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(triazol-1-yl)-1,3-benzothiazole?
The IUPAC name of 2-methyl-6-(triazol-1-yl)-1,3-benzothiazole (CID 130377065) is 2-methyl-6-(triazol-1-yl)-1,3-benzothiazole.
What is the SMILES notation for 2-methyl-6-(triazol-1-yl)-1,3-benzothiazole?
The canonical SMILES for 2-methyl-6-(triazol-1-yl)-1,3-benzothiazole is Cc1nc2ccc(-n3ccnn3)cc2s1.
What is the InChIKey of 2-methyl-6-(triazol-1-yl)-1,3-benzothiazole?
The InChIKey is QIVWRIWUNSKIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4S/c1-7-12-9-3-2-8(6-10(9)15-7)14-5-4-11-13-14/h2-6H,1H3.
What are the key properties of 2-methyl-6-(triazol-1-yl)-1,3-benzothiazole?
2-methyl-6-(triazol-1-yl)-1,3-benzothiazole has a molecular weight of 216.27 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(triazol-1-yl)-1,3-benzothiazole is sourced from PubChem (CID 130377065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).