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

C8H5N5S — CID 10130426

IUPAC2-(tetrazol-2-yl)-1,3-benzothiazole
SMILESc1ccc2sc(-n3ncnn3)nc2c1
InChIInChI=1S/C8H5N5S/c1-2-4-7-6(3-1)11-8(14-7)13-10-5-9-12-13/h1-5H
InChIKeyWNLQBGNNCRZYDI-UHFFFAOYSA-N
MW203.23 g/mol
LogP1.27
Rot. Bonds1

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

2-(tetrazol-2-yl)-1,3-benzothiazole (PubChem CID 10130426) has the molecular formula C8H5N5S and a molecular weight of 203.23 g/mol. Its IUPAC name is 2-(tetrazol-2-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(tetrazol-2-yl)-1,3-benzothiazole
PubChem CID10130426
Molecular FormulaC8H5N5S
Molecular Weight203.23 g/mol
Exact Mass203.03
IUPAC Name2-(tetrazol-2-yl)-1,3-benzothiazole
SMILESc1ccc2sc(-n3ncnn3)nc2c1
InChIInChI=1S/C8H5N5S/c1-2-4-7-6(3-1)11-8(14-7)13-10-5-9-12-13/h1-5H
InChIKeyWNLQBGNNCRZYDI-UHFFFAOYSA-N
XLogP1.27
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.23
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

CID 58036200
CID 58036200
2-(2-methyl-4,5-dihydroimidazol-1-yl)-1,3-benzothiazole
CID 15176220
1-(1,3-benzothiazol-2-yl)-1,2,4-triazole-3,5-diamine
CID 58976966
[1-(1,3-benzothiazol-2-yl)piperidin-4-ylidene]hydrazine
CID 70422837
2-(2-methylbenzimidazol-1-yl)-1,3-benzothiazole
CID 79753561
1-(1,3-benzothiazol-2-yl)pyrazol-3-amine
CID 57073470
2-piperazin-1-yl-1,3-benzothiazole;hydrochloride
CID 45286058
2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole
CID 854969
10-(1,3-benzothiazol-2-yl)-[1]benzothiolo[3,2-b]indole
CID 121298667
2-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,3-benzothiazole
CID 129479789
1-(1,3-benzothiazol-2-yl)pyrrole-2-carbonitrile
CID 99713917
1-(1,3-benzothiazol-2-yl)pyrrole-2-carbaldehyde
CID 3159622

Frequently Asked Questions

What is the IUPAC name of 2-(tetrazol-2-yl)-1,3-benzothiazole?
The IUPAC name of 2-(tetrazol-2-yl)-1,3-benzothiazole (CID 10130426) is 2-(tetrazol-2-yl)-1,3-benzothiazole.
What is the SMILES notation for 2-(tetrazol-2-yl)-1,3-benzothiazole?
The canonical SMILES for 2-(tetrazol-2-yl)-1,3-benzothiazole is c1ccc2sc(-n3ncnn3)nc2c1.
What is the InChIKey of 2-(tetrazol-2-yl)-1,3-benzothiazole?
The InChIKey is WNLQBGNNCRZYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N5S/c1-2-4-7-6(3-1)11-8(14-7)13-10-5-9-12-13/h1-5H.
What are the key properties of 2-(tetrazol-2-yl)-1,3-benzothiazole?
2-(tetrazol-2-yl)-1,3-benzothiazole has a molecular weight of 203.23 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tetrazol-2-yl)-1,3-benzothiazole is sourced from PubChem (CID 10130426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).