(2-bromophenyl)-(3-methoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone

C14H10BrN3O2S — CID 42731294

IUPAC(2-bromophenyl)-(3-methoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone
SMILESCOc1nc(-c2cccs2)n(C(=O)c2ccccc2Br)n1
InChIInChI=1S/C14H10BrN3O2S/c1-20-14-16-12(11-7-4-8-21-11)18(17-14)13(19)9-5-2-3-6-10(9)15/h2-8H,1H3
InChIKeyNJZVPOGSKHZPQT-UHFFFAOYSA-N
MW364.22 g/mol
LogP3.47
Rot. Bonds3

About (2-bromophenyl)-(3-methoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone

(2-bromophenyl)-(3-methoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone (PubChem CID 42731294) has the molecular formula C14H10BrN3O2S and a molecular weight of 364.22 g/mol. Its IUPAC name is (2-bromophenyl)-(3-methoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone.

Molecular Properties

Compound Name(2-bromophenyl)-(3-methoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone
PubChem CID42731294
Molecular FormulaC14H10BrN3O2S
Molecular Weight364.22 g/mol
Exact Mass362.97
IUPAC Name(2-bromophenyl)-(3-methoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone
SMILESCOc1nc(-c2cccs2)n(C(=O)c2ccccc2Br)n1
InChIInChI=1S/C14H10BrN3O2S/c1-20-14-16-12(11-7-4-8-21-11)18(17-14)13(19)9-5-2-3-6-10(9)15/h2-8H,1H3
InChIKeyNJZVPOGSKHZPQT-UHFFFAOYSA-N
XLogP3.47
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.22
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-bromophenyl)-[3-(2-methoxyethoxy)-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]methanone
CID 4567184
(2,4-dichlorophenyl)-(3-ethoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone
CID 1062032
2-bromo-N-(8-methoxy-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzamide
CID 23559743
1-(3-ethoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-2-phenylbutan-1-one
CID 42731266
(2-bromophenyl)-[5-(4-tert-butylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]methanone
CID 42729085
2-bromo-N-(2-methoxypyrimidin-5-yl)benzamide
CID 122301734
(2,4-dichlorophenyl)-(3-methoxy-5-phenyl-1,2,4-triazol-1-yl)methanone
CID 42727132
2-bromo-5-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 61334124
2-ethyl-1-(3-propoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)hexan-1-one
CID 42731249
2-bromo-N-(4-thiophen-2-yl-1,2,5-oxadiazol-3-yl)benzamide
CID 7709568
methyl 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate
CID 13411643
2-bromo-5-methoxy-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
CID 121139929

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(3-methoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone?
The IUPAC name of (2-bromophenyl)-(3-methoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone (CID 42731294) is (2-bromophenyl)-(3-methoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone.
What is the SMILES notation for (2-bromophenyl)-(3-methoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone?
The canonical SMILES for (2-bromophenyl)-(3-methoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone is COc1nc(-c2cccs2)n(C(=O)c2ccccc2Br)n1.
What is the InChIKey of (2-bromophenyl)-(3-methoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone?
The InChIKey is NJZVPOGSKHZPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O2S/c1-20-14-16-12(11-7-4-8-21-11)18(17-14)13(19)9-5-2-3-6-10(9)15/h2-8H,1H3.
What are the key properties of (2-bromophenyl)-(3-methoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone?
(2-bromophenyl)-(3-methoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone has a molecular weight of 364.22 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-(3-methoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone is sourced from PubChem (CID 42731294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).