[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-[1-(3,4-dimethoxyphenyl)ethyl]diazene

C19H17Cl2N3O2S — CID 170922659

IUPAC[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-[1-(3,4-dimethoxyphenyl)ethyl]diazene
SMILESCOc1ccc(C(C)/N=N/c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OC
InChIInChI=1S/C19H17Cl2N3O2S/c1-11(12-4-7-17(25-2)18(8-12)26-3)23-24-19-22-16(10-27-19)14-6-5-13(20)9-15(14)21/h4-11H,1-3H3/b24-23+
InChIKeyRJKNRBSGXDYVSG-WCWDXBQESA-N
MW422.34 g/mol
LogP6.98
Rot. Bonds6

About [4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-[1-(3,4-dimethoxyphenyl)ethyl]diazene

[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-[1-(3,4-dimethoxyphenyl)ethyl]diazene (PubChem CID 170922659) has the molecular formula C19H17Cl2N3O2S and a molecular weight of 422.34 g/mol. Its IUPAC name is [4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-[1-(3,4-dimethoxyphenyl)ethyl]diazene.

Molecular Properties

Compound Name[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-[1-(3,4-dimethoxyphenyl)ethyl]diazene
PubChem CID170922659
Molecular FormulaC19H17Cl2N3O2S
Molecular Weight422.34 g/mol
Exact Mass421.04
IUPAC Name[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-[1-(3,4-dimethoxyphenyl)ethyl]diazene
SMILESCOc1ccc(C(C)/N=N/c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OC
InChIInChI=1S/C19H17Cl2N3O2S/c1-11(12-4-7-17(25-2)18(8-12)26-3)23-24-19-22-16(10-27-19)14-6-5-13(20)9-15(14)21/h4-11H,1-3H3/b24-23+
InChIKeyRJKNRBSGXDYVSG-WCWDXBQESA-N
XLogP6.98
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.34
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-[1-(3,4-dimethoxyphenyl)ethyl]diazene?
The IUPAC name of [4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-[1-(3,4-dimethoxyphenyl)ethyl]diazene (CID 170922659) is [4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-[1-(3,4-dimethoxyphenyl)ethyl]diazene.
What is the SMILES notation for [4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-[1-(3,4-dimethoxyphenyl)ethyl]diazene?
The canonical SMILES for [4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-[1-(3,4-dimethoxyphenyl)ethyl]diazene is COc1ccc(C(C)/N=N/c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OC.
What is the InChIKey of [4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-[1-(3,4-dimethoxyphenyl)ethyl]diazene?
The InChIKey is RJKNRBSGXDYVSG-WCWDXBQESA-N. The full InChI is InChI=1S/C19H17Cl2N3O2S/c1-11(12-4-7-17(25-2)18(8-12)26-3)23-24-19-22-16(10-27-19)14-6-5-13(20)9-15(14)21/h4-11H,1-3H3/b24-23+.
What are the key properties of [4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-[1-(3,4-dimethoxyphenyl)ethyl]diazene?
[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-[1-(3,4-dimethoxyphenyl)ethyl]diazene has a molecular weight of 422.34 g/mol, XLogP of 6.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-[1-(3,4-dimethoxyphenyl)ethyl]diazene is sourced from PubChem (CID 170922659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).