3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazenyl]-5,7-dimethyl-1H-indol-2-ol

C19H15BrN4OS — CID 155518475

IUPAC3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazenyl]-5,7-dimethyl-1H-indol-2-ol
SMILESCc1cc(C)c2[nH]c(O)c(/N=N/c3nc(-c4ccc(Br)cc4)cs3)c2c1
InChIInChI=1S/C19H15BrN4OS/c1-10-7-11(2)16-14(8-10)17(18(25)22-16)23-24-19-21-15(9-26-19)12-3-5-13(20)6-4-12/h3-9,22,25H,1-2H3/b24-23+
InChIKeyDSHNZSXVZDWPNB-WCWDXBQESA-N
MW427.33 g/mol
LogP6.79
Rot. Bonds3

About 3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazenyl]-5,7-dimethyl-1H-indol-2-ol

3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazenyl]-5,7-dimethyl-1H-indol-2-ol (PubChem CID 155518475) has the molecular formula C19H15BrN4OS and a molecular weight of 427.33 g/mol. Its IUPAC name is 3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazenyl]-5,7-dimethyl-1H-indol-2-ol.

Molecular Properties

Compound Name3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazenyl]-5,7-dimethyl-1H-indol-2-ol
PubChem CID155518475
Molecular FormulaC19H15BrN4OS
Molecular Weight427.33 g/mol
Exact Mass426.01
IUPAC Name3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazenyl]-5,7-dimethyl-1H-indol-2-ol
SMILESCc1cc(C)c2[nH]c(O)c(/N=N/c3nc(-c4ccc(Br)cc4)cs3)c2c1
InChIInChI=1S/C19H15BrN4OS/c1-10-7-11(2)16-14(8-10)17(18(25)22-16)23-24-19-21-15(9-26-19)12-3-5-13(20)6-4-12/h3-9,22,25H,1-2H3/b24-23+
InChIKeyDSHNZSXVZDWPNB-WCWDXBQESA-N
XLogP6.79
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.33
LogP ≤ 56.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazenyl]-1H-indol-2-ol bromide
CID 135794067
3-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]-5-propan-2-yl-1H-indol-2-ol
CID 135571903
2-(4-fluorophenyl)-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]quinoline-4-carboxamide
CID 135758928
3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazenyl]-6-fluoro-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-ol
CID 171038469
3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]diazenyl]-5-nitro-1H-indol-2-ol
CID 176514028
5-nitro-3-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]diazenyl]-1H-indol-2-ol
CID 176513821
N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]-2-(4-methylphenoxy)acetamide
CID 3566388
1-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]-3-methylthiourea
CID 135758806
(2-methyl-1H-indol-3-yl)-(4-phenyl-1,3-thiazol-2-yl)diazene
CID 137234432
2-(4-fluorophenoxy)-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]acetamide
CID 135620348
3-(1,3-benzothiazol-2-yldiazenyl)-7-methyl-1H-indol-2-ol
CID 135775140
benzyl-[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazene
CID 91928514

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazenyl]-5,7-dimethyl-1H-indol-2-ol?
The IUPAC name of 3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazenyl]-5,7-dimethyl-1H-indol-2-ol (CID 155518475) is 3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazenyl]-5,7-dimethyl-1H-indol-2-ol.
What is the SMILES notation for 3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazenyl]-5,7-dimethyl-1H-indol-2-ol?
The canonical SMILES for 3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazenyl]-5,7-dimethyl-1H-indol-2-ol is Cc1cc(C)c2[nH]c(O)c(/N=N/c3nc(-c4ccc(Br)cc4)cs3)c2c1.
What is the InChIKey of 3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazenyl]-5,7-dimethyl-1H-indol-2-ol?
The InChIKey is DSHNZSXVZDWPNB-WCWDXBQESA-N. The full InChI is InChI=1S/C19H15BrN4OS/c1-10-7-11(2)16-14(8-10)17(18(25)22-16)23-24-19-21-15(9-26-19)12-3-5-13(20)6-4-12/h3-9,22,25H,1-2H3/b24-23+.
What are the key properties of 3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazenyl]-5,7-dimethyl-1H-indol-2-ol?
3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazenyl]-5,7-dimethyl-1H-indol-2-ol has a molecular weight of 427.33 g/mol, XLogP of 6.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazenyl]-5,7-dimethyl-1H-indol-2-ol is sourced from PubChem (CID 155518475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).