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

C17H9F2N5O3S — CID 176513919

IUPAC3-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]diazenyl]-5-nitro-1H-indol-2-ol
SMILESO=[N+]([O-])c1ccc2[nH]c(O)c(/N=N/c3nc(-c4ccc(F)cc4F)cs3)c2c1
InChIInChI=1S/C17H9F2N5O3S/c18-8-1-3-10(12(19)5-8)14-7-28-17(21-14)23-22-15-11-6-9(24(26)27)2-4-13(11)20-16(15)25/h1-7,20,25H/b23-22+
InChIKeyQBYCZPKFRHWHCL-GHVJWSGMSA-N
MW401.35 g/mol
LogP5.60
Rot. Bonds4

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

3-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]diazenyl]-5-nitro-1H-indol-2-ol (PubChem CID 176513919) has the molecular formula C17H9F2N5O3S and a molecular weight of 401.35 g/mol. Its IUPAC name is 3-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]diazenyl]-5-nitro-1H-indol-2-ol.

Molecular Properties

Compound Name3-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]diazenyl]-5-nitro-1H-indol-2-ol
PubChem CID176513919
Molecular FormulaC17H9F2N5O3S
Molecular Weight401.35 g/mol
Exact Mass401.04
IUPAC Name3-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]diazenyl]-5-nitro-1H-indol-2-ol
SMILESO=[N+]([O-])c1ccc2[nH]c(O)c(/N=N/c3nc(-c4ccc(F)cc4F)cs3)c2c1
InChIInChI=1S/C17H9F2N5O3S/c18-8-1-3-10(12(19)5-8)14-7-28-17(21-14)23-22-15-11-6-9(24(26)27)2-4-13(11)20-16(15)25/h1-7,20,25H/b23-22+
InChIKeyQBYCZPKFRHWHCL-GHVJWSGMSA-N
XLogP5.60
TPSA116.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.35
LogP ≤ 55.60
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'}

Analyze 3-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]diazenyl]-5-nitro-1H-indol-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-nitro-3-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]diazenyl]-1H-indol-2-ol
CID 176513821
3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]diazenyl]-5-nitro-1H-indol-2-ol
CID 176514028
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]furan-2-carboxamide
CID 3382763
3-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione
CID 135448106
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]pyridine-2-carboxamide
CID 3101810
N,N'-bis[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]octanediamide
CID 135544236
1-(2-fluorophenyl)-3-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]thiourea
CID 135731027
5-fluoro-3-[(4-fluorophenyl)diazenyl]-1H-indol-2-ol
CID 135730462
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzenesulfonamide
CID 3718763
3-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]-5-propan-2-yl-1H-indol-2-ol
CID 135571903

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]diazenyl]-5-nitro-1H-indol-2-ol?
The IUPAC name of 3-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]diazenyl]-5-nitro-1H-indol-2-ol (CID 176513919) is 3-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]diazenyl]-5-nitro-1H-indol-2-ol.
What is the SMILES notation for 3-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]diazenyl]-5-nitro-1H-indol-2-ol?
The canonical SMILES for 3-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]diazenyl]-5-nitro-1H-indol-2-ol is O=[N+]([O-])c1ccc2[nH]c(O)c(/N=N/c3nc(-c4ccc(F)cc4F)cs3)c2c1.
What is the InChIKey of 3-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]diazenyl]-5-nitro-1H-indol-2-ol?
The InChIKey is QBYCZPKFRHWHCL-GHVJWSGMSA-N. The full InChI is InChI=1S/C17H9F2N5O3S/c18-8-1-3-10(12(19)5-8)14-7-28-17(21-14)23-22-15-11-6-9(24(26)27)2-4-13(11)20-16(15)25/h1-7,20,25H/b23-22+.
What are the key properties of 3-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]diazenyl]-5-nitro-1H-indol-2-ol?
3-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]diazenyl]-5-nitro-1H-indol-2-ol has a molecular weight of 401.35 g/mol, XLogP of 5.60, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]diazenyl]-5-nitro-1H-indol-2-ol is sourced from PubChem (CID 176513919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).