benzotriazol-2-yl(thiophen-2-yl)methanone

C11H7N3OS — CID 141296565

IUPACbenzotriazol-2-yl(thiophen-2-yl)methanone
SMILESO=C(c1cccs1)n1nc2ccccc2n1
InChIInChI=1S/C11H7N3OS/c15-11(10-6-3-7-16-10)14-12-8-4-1-2-5-9(8)13-14/h1-7H
InChIKeyVGVOZQRUMGOWPK-UHFFFAOYSA-N
MW229.26 g/mol
LogP2.18
Rot. Bonds1

About benzotriazol-2-yl(thiophen-2-yl)methanone

benzotriazol-2-yl(thiophen-2-yl)methanone (PubChem CID 141296565) has the molecular formula C11H7N3OS and a molecular weight of 229.26 g/mol. Its IUPAC name is benzotriazol-2-yl(thiophen-2-yl)methanone.

Molecular Properties

Compound Namebenzotriazol-2-yl(thiophen-2-yl)methanone
PubChem CID141296565
Molecular FormulaC11H7N3OS
Molecular Weight229.26 g/mol
Exact Mass229.03
IUPAC Namebenzotriazol-2-yl(thiophen-2-yl)methanone
SMILESO=C(c1cccs1)n1nc2ccccc2n1
InChIInChI=1S/C11H7N3OS/c15-11(10-6-3-7-16-10)14-12-8-4-1-2-5-9(8)13-14/h1-7H
InChIKeyVGVOZQRUMGOWPK-UHFFFAOYSA-N
XLogP2.18
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

thiophen-2-yl-[3-[(E)-2-thiophen-2-ylethenyl]pyrazol-1-yl]methanone
CID 42634273
2-(benzotriazol-1-yl)-2-pyridin-4-yl-1-thiophen-2-ylethanone
CID 3803604
2-(benzotriazol-1-yl)-2-(4-methylphenyl)-1-thiophen-2-ylethanone
CID 3425025
3-quinolin-2-yl-1-thiophen-2-ylprop-2-en-1-one
CID 126839455
2-(benzotriazol-1-yl)-1-thiophen-2-ylethanone
CID 3700958
(4-quinolin-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 108741624
1-(thiophene-2-carbonyl)pyrrolidine-2,5-dione
CID 4171182
(4-benzhydrylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 1154208
(5-methylbenzotriazol-1-yl)-thiophen-2-ylmethanone
CID 21210330
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
3-phenyl-2-(thiophene-2-carbonyl)indeno[1,2-c]pyrazol-4-one
CID 3269585
(5-amino-1,2,4-triazol-1-yl)-thiophen-2-ylmethanone
CID 69315568

Frequently Asked Questions

What is the IUPAC name of benzotriazol-2-yl(thiophen-2-yl)methanone?
The IUPAC name of benzotriazol-2-yl(thiophen-2-yl)methanone (CID 141296565) is benzotriazol-2-yl(thiophen-2-yl)methanone.
What is the SMILES notation for benzotriazol-2-yl(thiophen-2-yl)methanone?
The canonical SMILES for benzotriazol-2-yl(thiophen-2-yl)methanone is O=C(c1cccs1)n1nc2ccccc2n1.
What is the InChIKey of benzotriazol-2-yl(thiophen-2-yl)methanone?
The InChIKey is VGVOZQRUMGOWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3OS/c15-11(10-6-3-7-16-10)14-12-8-4-1-2-5-9(8)13-14/h1-7H.
What are the key properties of benzotriazol-2-yl(thiophen-2-yl)methanone?
benzotriazol-2-yl(thiophen-2-yl)methanone has a molecular weight of 229.26 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-2-yl(thiophen-2-yl)methanone is sourced from PubChem (CID 141296565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).