3-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]diazenyl]-5-ethyl-1H-indol-2-ol

C20H17ClN4OS — CID 135624706

IUPAC3-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]diazenyl]-5-ethyl-1H-indol-2-ol
SMILESCCc1ccc2[nH]c(O)c(/N=N/c3nc(-c4ccc(Cl)cc4)c(C)s3)c2c1
InChIInChI=1S/C20H17ClN4OS/c1-3-12-4-9-16-15(10-12)18(19(26)22-16)24-25-20-23-17(11(2)27-20)13-5-7-14(21)8-6-13/h4-10,22,26H,3H2,1-2H3/b25-24+
InChIKeyPSJWWKHDEXTALA-OCOZRVBESA-N
MW396.90 g/mol
LogP6.94
Rot. Bonds4

About 3-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]diazenyl]-5-ethyl-1H-indol-2-ol

3-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]diazenyl]-5-ethyl-1H-indol-2-ol (PubChem CID 135624706) has the molecular formula C20H17ClN4OS and a molecular weight of 396.90 g/mol. Its IUPAC name is 3-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]diazenyl]-5-ethyl-1H-indol-2-ol.

Molecular Properties

Compound Name3-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]diazenyl]-5-ethyl-1H-indol-2-ol
PubChem CID135624706
Molecular FormulaC20H17ClN4OS
Molecular Weight396.90 g/mol
Exact Mass396.08
IUPAC Name3-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]diazenyl]-5-ethyl-1H-indol-2-ol
SMILESCCc1ccc2[nH]c(O)c(/N=N/c3nc(-c4ccc(Cl)cc4)c(C)s3)c2c1
InChIInChI=1S/C20H17ClN4OS/c1-3-12-4-9-16-15(10-12)18(19(26)22-16)24-25-20-23-17(11(2)27-20)13-5-7-14(21)8-6-13/h4-10,22,26H,3H2,1-2H3/b25-24+
InChIKeyPSJWWKHDEXTALA-OCOZRVBESA-N
XLogP6.94
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.90
LogP ≤ 56.94
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

5-ethyl-3-[(4-ethylphenyl)diazenyl]-1H-indol-2-ol
CID 136867526
4-chloro-3-[(5-ethyl-2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid
CID 135846233
3-(1,3-benzothiazol-2-yldiazenyl)-5-methyl-1H-indol-2-ol
CID 3564277
3-[(4-chloro-2-methylphenyl)diazenyl]-5-fluoro-1H-indol-2-ol
CID 136867871
3-[(4-ethylphenyl)diazenyl]-5-(trifluoromethyl)-1H-indol-2-ol
CID 136867768
8-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione
CID 5168177
3-[(5,6-diphenyl-1,2,4-triazin-3-yl)diazenyl]-5-methyl-1H-indol-2-ol
CID 135818199
5-chloro-3-[(2,3-dichlorophenyl)diazenyl]-1H-indol-2-ol
CID 136867697
3-[(4-chlorophenyl)diazenyl]-5-(trifluoromethyl)-1H-indol-2-ol
CID 136867759
5-chloro-3-[(6-chloropyridazin-3-yl)diazenyl]-1H-indol-2-ol
CID 135983033
3-[(5-chloro-2-methylphenyl)diazenyl]-1H-indol-2-ol
CID 136860025
5-fluoro-3-[(2,4,6-trichlorophenyl)diazenyl]-1H-indol-2-ol
CID 135775190

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]diazenyl]-5-ethyl-1H-indol-2-ol?
The IUPAC name of 3-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]diazenyl]-5-ethyl-1H-indol-2-ol (CID 135624706) is 3-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]diazenyl]-5-ethyl-1H-indol-2-ol.
What is the SMILES notation for 3-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]diazenyl]-5-ethyl-1H-indol-2-ol?
The canonical SMILES for 3-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]diazenyl]-5-ethyl-1H-indol-2-ol is CCc1ccc2[nH]c(O)c(/N=N/c3nc(-c4ccc(Cl)cc4)c(C)s3)c2c1.
What is the InChIKey of 3-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]diazenyl]-5-ethyl-1H-indol-2-ol?
The InChIKey is PSJWWKHDEXTALA-OCOZRVBESA-N. The full InChI is InChI=1S/C20H17ClN4OS/c1-3-12-4-9-16-15(10-12)18(19(26)22-16)24-25-20-23-17(11(2)27-20)13-5-7-14(21)8-6-13/h4-10,22,26H,3H2,1-2H3/b25-24+.
What are the key properties of 3-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]diazenyl]-5-ethyl-1H-indol-2-ol?
3-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]diazenyl]-5-ethyl-1H-indol-2-ol has a molecular weight of 396.90 g/mol, XLogP of 6.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]diazenyl]-5-ethyl-1H-indol-2-ol is sourced from PubChem (CID 135624706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).