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

C9H6N4S — CID 45077626

IUPAC2-(triazol-1-yl)-1,3-benzothiazole
SMILESc1ccc2sc(-n3ccnn3)nc2c1
InChIInChI=1S/C9H6N4S/c1-2-4-8-7(3-1)11-9(14-8)13-6-5-10-12-13/h1-6H
InChIKeyCXAYXNUQJIVODU-UHFFFAOYSA-N
MW202.24 g/mol
LogP1.88
Rot. Bonds1

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

2-(triazol-1-yl)-1,3-benzothiazole (PubChem CID 45077626) has the molecular formula C9H6N4S and a molecular weight of 202.24 g/mol. Its IUPAC name is 2-(triazol-1-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(triazol-1-yl)-1,3-benzothiazole
PubChem CID45077626
Molecular FormulaC9H6N4S
Molecular Weight202.24 g/mol
Exact Mass202.03
IUPAC Name2-(triazol-1-yl)-1,3-benzothiazole
SMILESc1ccc2sc(-n3ccnn3)nc2c1
InChIInChI=1S/C9H6N4S/c1-2-4-8-7(3-1)11-9(14-8)13-6-5-10-12-13/h1-6H
InChIKeyCXAYXNUQJIVODU-UHFFFAOYSA-N
XLogP1.88
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-Dimethyl-1H-pyrazol-1-yl)benzothiazole
CID 32030
N-(3-(1H-imidazol-1-yl)propyl)benzo[d]thiazol-2-amine
CID 6539203
N,N'-bis(1,3-benzothiazol-2-yl)-N,N'-dimethylethane-1,2-diamine
CID 23656211
N-(1,3-benzothiazol-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide
CID 6411115
2-(1H-imidazol-5-ylmethyl)-1,3-benzothiazole
CID 9964472
Benzothiazol-2-yl-[2-(1H-imidazol-4-yl)-ethyl]-amine
CID 11776592
2-(1-Pyrrolidinyl)benzothiazole
CID 10655812
N-(1H-1,2,3-benzotriazol-1-ylmethyl)-1,3-thiazol-2-amine
CID 1380912
2-[4-(4-Chlorophenyl)triazol-1-yl]-1,3-benzothiazole
CID 53299894
2-{[3-(1H-imidazol-1-yl)propyl]sulfanyl}-1,3-benzothiazole
CID 118733126
2-(4-Imidazol-1-ylbutylsulfanyl)-1,3-benzothiazole
CID 118733127
2-(Benzimidazol-1-yl)-1,3-benzothiazole
CID 30994080

Frequently Asked Questions

What is the IUPAC name of 2-(triazol-1-yl)-1,3-benzothiazole?
The IUPAC name of 2-(triazol-1-yl)-1,3-benzothiazole (CID 45077626) is 2-(triazol-1-yl)-1,3-benzothiazole.
What is the SMILES notation for 2-(triazol-1-yl)-1,3-benzothiazole?
The canonical SMILES for 2-(triazol-1-yl)-1,3-benzothiazole is c1ccc2sc(-n3ccnn3)nc2c1.
What is the InChIKey of 2-(triazol-1-yl)-1,3-benzothiazole?
The InChIKey is CXAYXNUQJIVODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4S/c1-2-4-8-7(3-1)11-9(14-8)13-6-5-10-12-13/h1-6H.
What are the key properties of 2-(triazol-1-yl)-1,3-benzothiazole?
2-(triazol-1-yl)-1,3-benzothiazole has a molecular weight of 202.24 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(triazol-1-yl)-1,3-benzothiazole is sourced from PubChem (CID 45077626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).