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

C17H11Br2N4OS- — CID 135794067

IUPAC3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazenyl]-1H-indol-2-ol bromide
SMILESOc1[nH]c2ccccc2c1/N=N/c1nc(-c2ccc(Br)cc2)cs1.[Br-]
InChIInChI=1S/C17H11BrN4OS.BrH/c18-11-7-5-10(6-8-11)14-9-24-17(20-14)22-21-15-12-3-1-2-4-13(12)19-16(15)23;/h1-9,19,23H;1H/p-1/b22-21+;
InChIKeyBETYCQNOXXTHAE-QUABFQRHSA-M
MW479.18 g/mol
LogP3.18
Rot. Bonds3

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

3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazenyl]-1H-indol-2-ol bromide (PubChem CID 135794067) has the molecular formula C17H11Br2N4OS- and a molecular weight of 479.18 g/mol. Its IUPAC name is 3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazenyl]-1H-indol-2-ol bromide.

Molecular Properties

Compound Name3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazenyl]-1H-indol-2-ol bromide
PubChem CID135794067
Molecular FormulaC17H11Br2N4OS-
Molecular Weight479.18 g/mol
Exact Mass476.90
IUPAC Name3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazenyl]-1H-indol-2-ol bromide
SMILESOc1[nH]c2ccccc2c1/N=N/c1nc(-c2ccc(Br)cc2)cs1.[Br-]
InChIInChI=1S/C17H11BrN4OS.BrH/c18-11-7-5-10(6-8-11)14-9-24-17(20-14)22-21-15-12-3-1-2-4-13(12)19-16(15)23;/h1-9,19,23H;1H/p-1/b22-21+;
InChIKeyBETYCQNOXXTHAE-QUABFQRHSA-M
XLogP3.18
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.18
LogP ≤ 53.18
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-phenyl-1,3-thiazol-2-yl)diazenyl]-5-propan-2-yl-1H-indol-2-ol
CID 135571903
3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazenyl]-5,7-dimethyl-1H-indol-2-ol
CID 155518475
(2-methyl-1H-indol-3-yl)-(4-phenyl-1,3-thiazol-2-yl)diazene
CID 137234432
5-nitro-3-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]diazenyl]-1H-indol-2-ol
CID 176513821
1-[(2-hydroxy-1H-indol-3-yl)imino]-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 135936240
3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]diazenyl]-5-nitro-1H-indol-2-ol
CID 176514028
benzyl-[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazene
CID 91928514
3-[(4-fluorophenyl)diazenyl]-1H-indol-2-ol
CID 5159433
4-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]benzenesulfonamide
CID 1380360
3-[(6-bromo-2-methylquinolin-4-yl)diazenyl]-1H-indol-2-ol
CID 3386737
3-[(4-tert-butylphenyl)diazenyl]-1H-indol-2-ol
CID 3565046
3-[(6-chloro-2-pyridinyl)diazenyl]-1H-indol-2-ol
CID 135659249

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazenyl]-1H-indol-2-ol bromide?
The IUPAC name of 3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazenyl]-1H-indol-2-ol bromide (CID 135794067) is 3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazenyl]-1H-indol-2-ol bromide.
What is the SMILES notation for 3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazenyl]-1H-indol-2-ol bromide?
The canonical SMILES for 3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazenyl]-1H-indol-2-ol bromide is Oc1[nH]c2ccccc2c1/N=N/c1nc(-c2ccc(Br)cc2)cs1.[Br-].
What is the InChIKey of 3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazenyl]-1H-indol-2-ol bromide?
The InChIKey is BETYCQNOXXTHAE-QUABFQRHSA-M. The full InChI is InChI=1S/C17H11BrN4OS.BrH/c18-11-7-5-10(6-8-11)14-9-24-17(20-14)22-21-15-12-3-1-2-4-13(12)19-16(15)23;/h1-9,19,23H;1H/p-1/b22-21+;.
What are the key properties of 3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazenyl]-1H-indol-2-ol bromide?
3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazenyl]-1H-indol-2-ol bromide has a molecular weight of 479.18 g/mol, XLogP of 3.18, 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]-1H-indol-2-ol bromide is sourced from PubChem (CID 135794067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).