3-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]-5-propan-2-yl-1H-indol-2-ol

C20H18N4OS — CID 135571903

IUPAC3-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]-5-propan-2-yl-1H-indol-2-ol
SMILESCC(C)c1ccc2[nH]c(O)c(/N=N/c3nc(-c4ccccc4)cs3)c2c1
InChIInChI=1S/C20H18N4OS/c1-12(2)14-8-9-16-15(10-14)18(19(25)21-16)23-24-20-22-17(11-26-20)13-6-4-3-5-7-13/h3-12,21,25H,1-2H3/b24-23+
InChIKeyLJALWWPQJYVPPZ-WCWDXBQESA-N
MW362.46 g/mol
LogP6.54
Rot. Bonds4

About 3-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]-5-propan-2-yl-1H-indol-2-ol

3-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]-5-propan-2-yl-1H-indol-2-ol (PubChem CID 135571903) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is 3-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]-5-propan-2-yl-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]-5-propan-2-yl-1H-indol-2-ol
PubChem CID135571903
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC Name3-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]-5-propan-2-yl-1H-indol-2-ol
SMILESCC(C)c1ccc2[nH]c(O)c(/N=N/c3nc(-c4ccccc4)cs3)c2c1
InChIInChI=1S/C20H18N4OS/c1-12(2)14-8-9-16-15(10-14)18(19(25)21-16)23-24-20-22-17(11-26-20)13-6-4-3-5-7-13/h3-12,21,25H,1-2H3/b24-23+
InChIKeyLJALWWPQJYVPPZ-WCWDXBQESA-N
XLogP6.54
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.46
LogP ≤ 56.54
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

N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 135767861
5-nitro-3-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]diazenyl]-1H-indol-2-ol
CID 176513821
3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazenyl]-1H-indol-2-ol bromide
CID 135794067
(2-methyl-1H-indol-3-yl)-(4-phenyl-1,3-thiazol-2-yl)diazene
CID 137234432
3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]diazenyl]-5-nitro-1H-indol-2-ol
CID 176514028
5-propan-2-yl-3-[[2-(trifluoromethyl)phenyl]diazenyl]-1H-indol-2-ol
CID 135775276
N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 135811317
N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-4-oxo-3H-phthalazine-1-carboxamide
CID 135847909
3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazenyl]-5,7-dimethyl-1H-indol-2-ol
CID 155518475
3-(1,3-benzothiazol-2-yldiazenyl)-5-methyl-1H-indol-2-ol
CID 3564277
4-fluoro-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]benzamide
CID 135775134
1-[(2-hydroxy-1H-indol-3-yl)imino]-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 135936240

Frequently Asked Questions

What is the IUPAC name of 3-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]-5-propan-2-yl-1H-indol-2-ol?
The IUPAC name of 3-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]-5-propan-2-yl-1H-indol-2-ol (CID 135571903) is 3-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]-5-propan-2-yl-1H-indol-2-ol.
What is the SMILES notation for 3-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]-5-propan-2-yl-1H-indol-2-ol?
The canonical SMILES for 3-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]-5-propan-2-yl-1H-indol-2-ol is CC(C)c1ccc2[nH]c(O)c(/N=N/c3nc(-c4ccccc4)cs3)c2c1.
What is the InChIKey of 3-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]-5-propan-2-yl-1H-indol-2-ol?
The InChIKey is LJALWWPQJYVPPZ-WCWDXBQESA-N. The full InChI is InChI=1S/C20H18N4OS/c1-12(2)14-8-9-16-15(10-14)18(19(25)21-16)23-24-20-22-17(11-26-20)13-6-4-3-5-7-13/h3-12,21,25H,1-2H3/b24-23+.
What are the key properties of 3-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]-5-propan-2-yl-1H-indol-2-ol?
3-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]-5-propan-2-yl-1H-indol-2-ol has a molecular weight of 362.46 g/mol, XLogP of 6.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]-5-propan-2-yl-1H-indol-2-ol is sourced from PubChem (CID 135571903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).