2-(benzotriazol-1-ylsulfonyl)-1,3-thiazole

C9H6N4O2S2 — CID 26794696

IUPAC2-(benzotriazol-1-ylsulfonyl)-1,3-thiazole
SMILESO=S(=O)(c1nccs1)n1nnc2ccccc21
InChIInChI=1S/C9H6N4O2S2/c14-17(15,9-10-5-6-16-9)13-8-4-2-1-3-7(8)11-12-13/h1-6H
InChIKeyYSOSZKCHZMHXTE-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.12
Rot. Bonds2

About 2-(benzotriazol-1-ylsulfonyl)-1,3-thiazole

2-(benzotriazol-1-ylsulfonyl)-1,3-thiazole (PubChem CID 26794696) has the molecular formula C9H6N4O2S2 and a molecular weight of 266.31 g/mol. Its IUPAC name is 2-(benzotriazol-1-ylsulfonyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(benzotriazol-1-ylsulfonyl)-1,3-thiazole
PubChem CID26794696
Molecular FormulaC9H6N4O2S2
Molecular Weight266.31 g/mol
Exact Mass265.99
IUPAC Name2-(benzotriazol-1-ylsulfonyl)-1,3-thiazole
SMILESO=S(=O)(c1nccs1)n1nnc2ccccc21
InChIInChI=1S/C9H6N4O2S2/c14-17(15,9-10-5-6-16-9)13-8-4-2-1-3-7(8)11-12-13/h1-6H
InChIKeyYSOSZKCHZMHXTE-UHFFFAOYSA-N
XLogP1.12
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[(1-Decyl-1H-1,2,3-triazol-4-yl)fluoromethyl]sulfonyl]benzothiazole (ACI)
CID 178256245
1-(4-Methylthiazol-2-ylsulfonyloxy)-1,2,3-benzotriazole
CID 17864614
2-(Benzotriazol-2-yl)-1,3-thiazole
CID 57266963
1-[2-(Benzotriazol-2-yl)ethyl]-3-(1,3-thiazol-2-ylsulfanyl)urea
CID 88068037
2H-benzotriazole;1,3-thiazole
CID 141113342
1,2,3-Benzothiadiazole;1,3-thiazole
CID 158771206
2H-benzotriazole;2-butyl-1,3-thiazole
CID 174908813
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-1,2,3-benzotriazole
CID 1482583
2-{[(2-Chloro-1,3-thiazol-5-yl)methyl]sulfonyl}-1,3-benzothiazole
CID 1484630
4-[[4-(1,3-Thiazol-2-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]-2,1,3-benzothiadiazole
CID 24023444
N-(1,3-thiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 25047938
Benzotriazol-1-yl(1,3-thiazol-2-yl)methanethione
CID 26793796

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-ylsulfonyl)-1,3-thiazole?
The IUPAC name of 2-(benzotriazol-1-ylsulfonyl)-1,3-thiazole (CID 26794696) is 2-(benzotriazol-1-ylsulfonyl)-1,3-thiazole.
What is the SMILES notation for 2-(benzotriazol-1-ylsulfonyl)-1,3-thiazole?
The canonical SMILES for 2-(benzotriazol-1-ylsulfonyl)-1,3-thiazole is O=S(=O)(c1nccs1)n1nnc2ccccc21.
What is the InChIKey of 2-(benzotriazol-1-ylsulfonyl)-1,3-thiazole?
The InChIKey is YSOSZKCHZMHXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4O2S2/c14-17(15,9-10-5-6-16-9)13-8-4-2-1-3-7(8)11-12-13/h1-6H.
What are the key properties of 2-(benzotriazol-1-ylsulfonyl)-1,3-thiazole?
2-(benzotriazol-1-ylsulfonyl)-1,3-thiazole has a molecular weight of 266.31 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-ylsulfonyl)-1,3-thiazole is sourced from PubChem (CID 26794696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).