2-chloro-4-[[5-[(2-methylpyrazol-3-yl)diazenyl]-4-phenyl-1,3-thiazol-2-yl]diazenyl]phenol

C19H14ClN7OS — CID 161415012

IUPAC2-chloro-4-[[5-[(2-methylpyrazol-3-yl)diazenyl]-4-phenyl-1,3-thiazol-2-yl]diazenyl]phenol
SMILESCn1nccc1N=Nc1sc(/N=N/c2ccc(O)c(Cl)c2)nc1-c1ccccc1
InChIInChI=1S/C19H14ClN7OS/c1-27-16(9-10-21-27)24-25-18-17(12-5-3-2-4-6-12)22-19(29-18)26-23-13-7-8-15(28)14(20)11-13/h2-11,28H,1H3/b25-24?,26-23+
InChIKeyHRKBBDNERMGWCH-HHEAWDSSSA-N
MW423.89 g/mol
LogP6.73
Rot. Bonds5

About 2-chloro-4-[[5-[(2-methylpyrazol-3-yl)diazenyl]-4-phenyl-1,3-thiazol-2-yl]diazenyl]phenol

2-chloro-4-[[5-[(2-methylpyrazol-3-yl)diazenyl]-4-phenyl-1,3-thiazol-2-yl]diazenyl]phenol (PubChem CID 161415012) has the molecular formula C19H14ClN7OS and a molecular weight of 423.89 g/mol. Its IUPAC name is 2-chloro-4-[[5-[(2-methylpyrazol-3-yl)diazenyl]-4-phenyl-1,3-thiazol-2-yl]diazenyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[[5-[(2-methylpyrazol-3-yl)diazenyl]-4-phenyl-1,3-thiazol-2-yl]diazenyl]phenol
PubChem CID161415012
Molecular FormulaC19H14ClN7OS
Molecular Weight423.89 g/mol
Exact Mass423.07
IUPAC Name2-chloro-4-[[5-[(2-methylpyrazol-3-yl)diazenyl]-4-phenyl-1,3-thiazol-2-yl]diazenyl]phenol
SMILESCn1nccc1N=Nc1sc(/N=N/c2ccc(O)c(Cl)c2)nc1-c1ccccc1
InChIInChI=1S/C19H14ClN7OS/c1-27-16(9-10-21-27)24-25-18-17(12-5-3-2-4-6-12)22-19(29-18)26-23-13-7-8-15(28)14(20)11-13/h2-11,28H,1H3/b25-24?,26-23+
InChIKeyHRKBBDNERMGWCH-HHEAWDSSSA-N
XLogP6.73
TPSA100.38 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.89
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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 2-chloro-4-[[5-[(2-methylpyrazol-3-yl)diazenyl]-4-phenyl-1,3-thiazol-2-yl]diazenyl]phenol?
The IUPAC name of 2-chloro-4-[[5-[(2-methylpyrazol-3-yl)diazenyl]-4-phenyl-1,3-thiazol-2-yl]diazenyl]phenol (CID 161415012) is 2-chloro-4-[[5-[(2-methylpyrazol-3-yl)diazenyl]-4-phenyl-1,3-thiazol-2-yl]diazenyl]phenol.
What is the SMILES notation for 2-chloro-4-[[5-[(2-methylpyrazol-3-yl)diazenyl]-4-phenyl-1,3-thiazol-2-yl]diazenyl]phenol?
The canonical SMILES for 2-chloro-4-[[5-[(2-methylpyrazol-3-yl)diazenyl]-4-phenyl-1,3-thiazol-2-yl]diazenyl]phenol is Cn1nccc1N=Nc1sc(/N=N/c2ccc(O)c(Cl)c2)nc1-c1ccccc1.
What is the InChIKey of 2-chloro-4-[[5-[(2-methylpyrazol-3-yl)diazenyl]-4-phenyl-1,3-thiazol-2-yl]diazenyl]phenol?
The InChIKey is HRKBBDNERMGWCH-HHEAWDSSSA-N. The full InChI is InChI=1S/C19H14ClN7OS/c1-27-16(9-10-21-27)24-25-18-17(12-5-3-2-4-6-12)22-19(29-18)26-23-13-7-8-15(28)14(20)11-13/h2-11,28H,1H3/b25-24?,26-23+.
What are the key properties of 2-chloro-4-[[5-[(2-methylpyrazol-3-yl)diazenyl]-4-phenyl-1,3-thiazol-2-yl]diazenyl]phenol?
2-chloro-4-[[5-[(2-methylpyrazol-3-yl)diazenyl]-4-phenyl-1,3-thiazol-2-yl]diazenyl]phenol has a molecular weight of 423.89 g/mol, XLogP of 6.73, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[5-[(2-methylpyrazol-3-yl)diazenyl]-4-phenyl-1,3-thiazol-2-yl]diazenyl]phenol is sourced from PubChem (CID 161415012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).