(1,2-dimethylindol-3-yl)-(3-methyl-2H-1,3-thiazol-2-yl)diazene

C14H16N4S — CID 87790627

IUPAC(1,2-dimethylindol-3-yl)-(3-methyl-2H-1,3-thiazol-2-yl)diazene
SMILESCc1c(/N=N/C2SC=CN2C)c2ccccc2n1C
InChIInChI=1S/C14H16N4S/c1-10-13(15-16-14-17(2)8-9-19-14)11-6-4-5-7-12(11)18(10)3/h4-9,14H,1-3H3/b16-15+
InChIKeyRDHRWYUAOOIPPL-FOCLMDBBSA-N
MW272.38 g/mol
LogP4.00
Rot. Bonds2

About (1,2-dimethylindol-3-yl)-(3-methyl-2H-1,3-thiazol-2-yl)diazene

(1,2-dimethylindol-3-yl)-(3-methyl-2H-1,3-thiazol-2-yl)diazene (PubChem CID 87790627) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is (1,2-dimethylindol-3-yl)-(3-methyl-2H-1,3-thiazol-2-yl)diazene.

Molecular Properties

Compound Name(1,2-dimethylindol-3-yl)-(3-methyl-2H-1,3-thiazol-2-yl)diazene
PubChem CID87790627
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name(1,2-dimethylindol-3-yl)-(3-methyl-2H-1,3-thiazol-2-yl)diazene
SMILESCc1c(/N=N/C2SC=CN2C)c2ccccc2n1C
InChIInChI=1S/C14H16N4S/c1-10-13(15-16-14-17(2)8-9-19-14)11-6-4-5-7-12(11)18(10)3/h4-9,14H,1-3H3/b16-15+
InChIKeyRDHRWYUAOOIPPL-FOCLMDBBSA-N
XLogP4.00
TPSA32.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 54.00
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

(1,2-diphenylindol-3-yl)-(3-methyl-2H-1,3-thiazol-2-yl)diazene
CID 87591807
(1,2-dimethylindol-3-yl)-(3-methyl-5-nitro-2H-1,3-thiazol-2-yl)diazene
CID 87592312
5-[(1,2-dimethylindol-3-yl)diazenyl]-1-methylpyrazole-4-carbonitrile
CID 20744713
(1,2-dimethylindol-3-yl)-(1,5-dimethyl-2-phenyl-1,3-dihydropyrazol-1-ium-3-yl)diazene acetate
CID 57356570
zinc;(1,2-dimethylindol-3-yl)-(2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl)diazene;dichloride;hydrochloride
CID 170853821
ethane;1,2,3-trimethylindole
CID 91590745
(1,2-dimethylindol-3-yl)-(3-methyl-5-nitro-1,3-thiazol-3-ium-2-yl)diazene
CID 68831616
3-iodo-1,2-dimethylindole
CID 19093282
(1,2-dimethylindol-3-yl)-(3-methyl-5-nitro-1,3-thiazol-3-ium-2-yl)diazene chloride
CID 69224655
N-(1,2-dimethylindol-3-yl)-1-methylindazol-1-ium-3-imine
CID 59768777
1,2-dimethylindole-3-sulfonyl fluoride
CID 82287934
ethane;bis(9-methylcarbazole)
CID 159710949

Frequently Asked Questions

What is the IUPAC name of (1,2-dimethylindol-3-yl)-(3-methyl-2H-1,3-thiazol-2-yl)diazene?
The IUPAC name of (1,2-dimethylindol-3-yl)-(3-methyl-2H-1,3-thiazol-2-yl)diazene (CID 87790627) is (1,2-dimethylindol-3-yl)-(3-methyl-2H-1,3-thiazol-2-yl)diazene.
What is the SMILES notation for (1,2-dimethylindol-3-yl)-(3-methyl-2H-1,3-thiazol-2-yl)diazene?
The canonical SMILES for (1,2-dimethylindol-3-yl)-(3-methyl-2H-1,3-thiazol-2-yl)diazene is Cc1c(/N=N/C2SC=CN2C)c2ccccc2n1C.
What is the InChIKey of (1,2-dimethylindol-3-yl)-(3-methyl-2H-1,3-thiazol-2-yl)diazene?
The InChIKey is RDHRWYUAOOIPPL-FOCLMDBBSA-N. The full InChI is InChI=1S/C14H16N4S/c1-10-13(15-16-14-17(2)8-9-19-14)11-6-4-5-7-12(11)18(10)3/h4-9,14H,1-3H3/b16-15+.
What are the key properties of (1,2-dimethylindol-3-yl)-(3-methyl-2H-1,3-thiazol-2-yl)diazene?
(1,2-dimethylindol-3-yl)-(3-methyl-2H-1,3-thiazol-2-yl)diazene has a molecular weight of 272.38 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethylindol-3-yl)-(3-methyl-2H-1,3-thiazol-2-yl)diazene is sourced from PubChem (CID 87790627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).