(1-ethyl-2,3,3,6-tetramethyl-2H-indol-5-yl)-[5-(trifluoromethyl)-1,3-thiazol-2-yl]diazene

C18H21F3N4S — CID 20650583

IUPAC(1-ethyl-2,3,3,6-tetramethyl-2H-indol-5-yl)-[5-(trifluoromethyl)-1,3-thiazol-2-yl]diazene
SMILESCCN1c2cc(C)c(/N=N/c3ncc(C(F)(F)F)s3)cc2C(C)(C)C1C
InChIInChI=1S/C18H21F3N4S/c1-6-25-11(3)17(4,5)12-8-13(10(2)7-14(12)25)23-24-16-22-9-15(26-16)18(19,20)21/h7-9,11H,6H2,1-5H3/b24-23+
InChIKeyQMNWJWVHTIRSLR-WCWDXBQESA-N
MW382.46 g/mol
LogP6.39
Rot. Bonds3

About (1-ethyl-2,3,3,6-tetramethyl-2H-indol-5-yl)-[5-(trifluoromethyl)-1,3-thiazol-2-yl]diazene

(1-ethyl-2,3,3,6-tetramethyl-2H-indol-5-yl)-[5-(trifluoromethyl)-1,3-thiazol-2-yl]diazene (PubChem CID 20650583) has the molecular formula C18H21F3N4S and a molecular weight of 382.46 g/mol. Its IUPAC name is (1-ethyl-2,3,3,6-tetramethyl-2H-indol-5-yl)-[5-(trifluoromethyl)-1,3-thiazol-2-yl]diazene.

Molecular Properties

Compound Name(1-ethyl-2,3,3,6-tetramethyl-2H-indol-5-yl)-[5-(trifluoromethyl)-1,3-thiazol-2-yl]diazene
PubChem CID20650583
Molecular FormulaC18H21F3N4S
Molecular Weight382.46 g/mol
Exact Mass382.14
IUPAC Name(1-ethyl-2,3,3,6-tetramethyl-2H-indol-5-yl)-[5-(trifluoromethyl)-1,3-thiazol-2-yl]diazene
SMILESCCN1c2cc(C)c(/N=N/c3ncc(C(F)(F)F)s3)cc2C(C)(C)C1C
InChIInChI=1S/C18H21F3N4S/c1-6-25-11(3)17(4,5)12-8-13(10(2)7-14(12)25)23-24-16-22-9-15(26-16)18(19,20)21/h7-9,11H,6H2,1-5H3/b24-23+
InChIKeyQMNWJWVHTIRSLR-WCWDXBQESA-N
XLogP6.39
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 56.39
H-Bond Donors ≤ 50
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-[(6-Fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine
CID 104008260
5-[(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methyl]-1,3-thiazol-2-amine
CID 120902155
5-[[4-(Trifluoromethyl)-2,3-dihydroindol-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120902332
5-[[4-(Trifluoromethyl)-2,3-dihydroindol-1-yl]methyl]-1,3-thiazol-2-amine
CID 120902333
5-[(5-Fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine
CID 120902623
5-[(4,6-Difluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine
CID 120902647
5-[(5,6-Difluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine
CID 120902651
5-[(4-Fluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine
CID 120903422
5-[[4-(5-Fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120905732
N,N-dimethyl-3-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]aniline
CID 133509147
2-(5-butyl-3-methylidene-1H-isoindol-2-yl)-5-(trifluoromethyl)-1,3-thiazole
CID 178768241
N,N-dibutyl-3-methyl-4-(1,3-thiazol-2-yldiazenyl)aniline
CID 20650793

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-2,3,3,6-tetramethyl-2H-indol-5-yl)-[5-(trifluoromethyl)-1,3-thiazol-2-yl]diazene?
The IUPAC name of (1-ethyl-2,3,3,6-tetramethyl-2H-indol-5-yl)-[5-(trifluoromethyl)-1,3-thiazol-2-yl]diazene (CID 20650583) is (1-ethyl-2,3,3,6-tetramethyl-2H-indol-5-yl)-[5-(trifluoromethyl)-1,3-thiazol-2-yl]diazene.
What is the SMILES notation for (1-ethyl-2,3,3,6-tetramethyl-2H-indol-5-yl)-[5-(trifluoromethyl)-1,3-thiazol-2-yl]diazene?
The canonical SMILES for (1-ethyl-2,3,3,6-tetramethyl-2H-indol-5-yl)-[5-(trifluoromethyl)-1,3-thiazol-2-yl]diazene is CCN1c2cc(C)c(/N=N/c3ncc(C(F)(F)F)s3)cc2C(C)(C)C1C.
What is the InChIKey of (1-ethyl-2,3,3,6-tetramethyl-2H-indol-5-yl)-[5-(trifluoromethyl)-1,3-thiazol-2-yl]diazene?
The InChIKey is QMNWJWVHTIRSLR-WCWDXBQESA-N. The full InChI is InChI=1S/C18H21F3N4S/c1-6-25-11(3)17(4,5)12-8-13(10(2)7-14(12)25)23-24-16-22-9-15(26-16)18(19,20)21/h7-9,11H,6H2,1-5H3/b24-23+.
What are the key properties of (1-ethyl-2,3,3,6-tetramethyl-2H-indol-5-yl)-[5-(trifluoromethyl)-1,3-thiazol-2-yl]diazene?
(1-ethyl-2,3,3,6-tetramethyl-2H-indol-5-yl)-[5-(trifluoromethyl)-1,3-thiazol-2-yl]diazene has a molecular weight of 382.46 g/mol, XLogP of 6.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-2,3,3,6-tetramethyl-2H-indol-5-yl)-[5-(trifluoromethyl)-1,3-thiazol-2-yl]diazene is sourced from PubChem (CID 20650583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).