2-(benzotriazol-1-yl)-1-thiophen-2-ylethanone

C12H9N3OS — CID 3700958

IUPAC2-(benzotriazol-1-yl)-1-thiophen-2-ylethanone
SMILESO=C(Cn1nnc2ccccc21)c1cccs1
InChIInChI=1S/C12H9N3OS/c16-11(12-6-3-7-17-12)8-15-10-5-2-1-4-9(10)13-14-15/h1-7H,8H2
InChIKeyGYCRBBZVEXBVMD-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.38
Rot. Bonds3

About 2-(benzotriazol-1-yl)-1-thiophen-2-ylethanone

2-(benzotriazol-1-yl)-1-thiophen-2-ylethanone (PubChem CID 3700958) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-1-thiophen-2-ylethanone
PubChem CID3700958
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC Name2-(benzotriazol-1-yl)-1-thiophen-2-ylethanone
SMILESO=C(Cn1nnc2ccccc21)c1cccs1
InChIInChI=1S/C12H9N3OS/c16-11(12-6-3-7-17-12)8-15-10-5-2-1-4-9(10)13-14-15/h1-7H,8H2
InChIKeyGYCRBBZVEXBVMD-UHFFFAOYSA-N
XLogP2.38
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminobenzimidazol-1-yl)-1-thiophen-2-ylethanone
CID 82358968
2-(benzotriazol-1-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 47007781
2-(benzotriazol-1-yl)-1-(4-phosphanylphenyl)ethanone
CID 174283691
sodium 2-(benzotriazol-1-yl)acetate
CID 23711121
3-(benzotriazol-1-yl)-N-(1-thiophen-2-ylethylideneamino)propanamide
CID 742351
2-(benzotriazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 854633
3-[2-(benzotriazol-1-yl)acetyl]oxypropyl 2-(benzotriazol-1-yl)acetate
CID 55567943
4-(benzotriazol-1-yl)-3-methylbut-2-enoic acid
CID 77005771
N-[3-[3-(benzotriazol-1-yl)propanoylamino]-4-methylphenyl]thiophene-2-carboxamide
CID 23800699
1-(benzotriazol-1-ylmethylsulfinylmethyl)benzotriazole
CID 3765882
2-(benzotriazol-1-yl)-1-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]ethanone
CID 7504550
2-(benzotriazol-1-yl)-2-pyridin-4-yl-1-thiophen-2-ylethanone
CID 3803604

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-1-thiophen-2-ylethanone?
The IUPAC name of 2-(benzotriazol-1-yl)-1-thiophen-2-ylethanone (CID 3700958) is 2-(benzotriazol-1-yl)-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(benzotriazol-1-yl)-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(benzotriazol-1-yl)-1-thiophen-2-ylethanone is O=C(Cn1nnc2ccccc21)c1cccs1.
What is the InChIKey of 2-(benzotriazol-1-yl)-1-thiophen-2-ylethanone?
The InChIKey is GYCRBBZVEXBVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c16-11(12-6-3-7-17-12)8-15-10-5-2-1-4-9(10)13-14-15/h1-7H,8H2.
What are the key properties of 2-(benzotriazol-1-yl)-1-thiophen-2-ylethanone?
2-(benzotriazol-1-yl)-1-thiophen-2-ylethanone has a molecular weight of 243.29 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-1-thiophen-2-ylethanone is sourced from PubChem (CID 3700958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).