(2,4-dichlorophenyl)-(3-ethoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone

C15H11Cl2N3O2S — CID 1062032

IUPAC(2,4-dichlorophenyl)-(3-ethoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone
SMILESCCOc1nc(-c2cccs2)n(C(=O)c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C15H11Cl2N3O2S/c1-2-22-15-18-13(12-4-3-7-23-12)20(19-15)14(21)10-6-5-9(16)8-11(10)17/h3-8H,2H2,1H3
InChIKeyICZRAVIUYGHMJS-UHFFFAOYSA-N
MW368.25 g/mol
LogP4.40
Rot. Bonds4

About (2,4-dichlorophenyl)-(3-ethoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone

(2,4-dichlorophenyl)-(3-ethoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone (PubChem CID 1062032) has the molecular formula C15H11Cl2N3O2S and a molecular weight of 368.25 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(3-ethoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(3-ethoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone
PubChem CID1062032
Molecular FormulaC15H11Cl2N3O2S
Molecular Weight368.25 g/mol
Exact Mass366.99
IUPAC Name(2,4-dichlorophenyl)-(3-ethoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone
SMILESCCOc1nc(-c2cccs2)n(C(=O)c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C15H11Cl2N3O2S/c1-2-22-15-18-13(12-4-3-7-23-12)20(19-15)14(21)10-6-5-9(16)8-11(10)17/h3-8H,2H2,1H3
InChIKeyICZRAVIUYGHMJS-UHFFFAOYSA-N
XLogP4.40
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.25
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-chlorophenyl)-[5-(3-chlorophenyl)-3-ethoxy-1,2,4-triazol-1-yl]methanone
CID 42730210
1-(3-ethoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)-2-phenylbutan-1-one
CID 42731266
(2,4-dichlorophenyl)-(3-methoxy-5-phenyl-1,2,4-triazol-1-yl)methanone
CID 42727132
[5-(1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1,2,4-triazol-1-yl]-(2,4-dichlorophenyl)methanone
CID 42730123
(2-bromophenyl)-(3-methoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone
CID 42731294
2-ethyl-1-(3-propoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)hexan-1-one
CID 42731249
(2,4-dichlorophenyl)-[3-(4-methoxyphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]methanone
CID 5040545
[5-(2,4-dichlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]-(furan-2-yl)methanone
CID 42726641
1-(2,4-dichlorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid
CID 43324453
1-[5-(3-chlorophenyl)-3-ethoxy-1,2,4-triazol-1-yl]heptan-1-one
CID 42730223
[5-(3-chlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]-(3,4-dichlorophenyl)methanone
CID 42730241
(2-chlorophenyl)-[5-(2-methylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]methanone
CID 42729510

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(3-ethoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone?
The IUPAC name of (2,4-dichlorophenyl)-(3-ethoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone (CID 1062032) is (2,4-dichlorophenyl)-(3-ethoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-(3-ethoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone?
The canonical SMILES for (2,4-dichlorophenyl)-(3-ethoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone is CCOc1nc(-c2cccs2)n(C(=O)c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of (2,4-dichlorophenyl)-(3-ethoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone?
The InChIKey is ICZRAVIUYGHMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O2S/c1-2-22-15-18-13(12-4-3-7-23-12)20(19-15)14(21)10-6-5-9(16)8-11(10)17/h3-8H,2H2,1H3.
What are the key properties of (2,4-dichlorophenyl)-(3-ethoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone?
(2,4-dichlorophenyl)-(3-ethoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone has a molecular weight of 368.25 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(3-ethoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone is sourced from PubChem (CID 1062032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).