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

C23H15N5O3S — CID 176513821

IUPAC5-nitro-3-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]diazenyl]-1H-indol-2-ol
SMILESO=[N+]([O-])c1ccc2[nH]c(O)c(/N=N/c3nc(-c4ccc(-c5ccccc5)cc4)cs3)c2c1
InChIInChI=1S/C23H15N5O3S/c29-22-21(18-12-17(28(30)31)10-11-19(18)24-22)26-27-23-25-20(13-32-23)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13,24,29H/b27-26+
InChIKeyFTYQKSPQUWAEQN-CYYJNZCTSA-N
MW441.47 g/mol
LogP6.99
Rot. Bonds5

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

5-nitro-3-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]diazenyl]-1H-indol-2-ol (PubChem CID 176513821) has the molecular formula C23H15N5O3S and a molecular weight of 441.47 g/mol. Its IUPAC name is 5-nitro-3-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]diazenyl]-1H-indol-2-ol.

Molecular Properties

Compound Name5-nitro-3-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]diazenyl]-1H-indol-2-ol
PubChem CID176513821
Molecular FormulaC23H15N5O3S
Molecular Weight441.47 g/mol
Exact Mass441.09
IUPAC Name5-nitro-3-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]diazenyl]-1H-indol-2-ol
SMILESO=[N+]([O-])c1ccc2[nH]c(O)c(/N=N/c3nc(-c4ccc(-c5ccccc5)cc4)cs3)c2c1
InChIInChI=1S/C23H15N5O3S/c29-22-21(18-12-17(28(30)31)10-11-19(18)24-22)26-27-23-25-20(13-32-23)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13,24,29H/b27-26+
InChIKeyFTYQKSPQUWAEQN-CYYJNZCTSA-N
XLogP6.99
TPSA116.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.47
LogP ≤ 56.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]diazenyl]-5-nitro-1H-indol-2-ol
CID 176514028
3-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]diazenyl]-5-nitro-1H-indol-2-ol
CID 176513919
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]-1H-indol-2-ol bromide
CID 135794067
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzenesulfonamide
CID 3718763
4-nitro-2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol
CID 135505166
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]pyridine-2-carboxamide
CID 3101810
3-ethyl-2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]quinazolin-4-one
CID 135839887
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]acetamide
CID 4658670
1-N,4-N-bis[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzene-1,4-dicarboxamide
CID 135486408
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]naphthalene-1-carboxamide
CID 135647538
(2R)-2-hydroxy-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-phenylacetamide
CID 135617256

Frequently Asked Questions

What is the IUPAC name of 5-nitro-3-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]diazenyl]-1H-indol-2-ol?
The IUPAC name of 5-nitro-3-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]diazenyl]-1H-indol-2-ol (CID 176513821) is 5-nitro-3-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]diazenyl]-1H-indol-2-ol.
What is the SMILES notation for 5-nitro-3-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]diazenyl]-1H-indol-2-ol?
The canonical SMILES for 5-nitro-3-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]diazenyl]-1H-indol-2-ol is O=[N+]([O-])c1ccc2[nH]c(O)c(/N=N/c3nc(-c4ccc(-c5ccccc5)cc4)cs3)c2c1.
What is the InChIKey of 5-nitro-3-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]diazenyl]-1H-indol-2-ol?
The InChIKey is FTYQKSPQUWAEQN-CYYJNZCTSA-N. The full InChI is InChI=1S/C23H15N5O3S/c29-22-21(18-12-17(28(30)31)10-11-19(18)24-22)26-27-23-25-20(13-32-23)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13,24,29H/b27-26+.
What are the key properties of 5-nitro-3-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]diazenyl]-1H-indol-2-ol?
5-nitro-3-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]diazenyl]-1H-indol-2-ol has a molecular weight of 441.47 g/mol, XLogP of 6.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-3-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]diazenyl]-1H-indol-2-ol is sourced from PubChem (CID 176513821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).