(1,2-dimethylindol-3-yl)-(3-methyl-5-nitro-2H-1,3-thiazol-2-yl)diazene

C14H15N5O2S — CID 87592312

IUPAC(1,2-dimethylindol-3-yl)-(3-methyl-5-nitro-2H-1,3-thiazol-2-yl)diazene
SMILESCc1c(/N=N/C2SC([N+](=O)[O-])=CN2C)c2ccccc2n1C
InChIInChI=1S/C14H15N5O2S/c1-9-13(10-6-4-5-7-11(10)18(9)3)15-16-14-17(2)8-12(22-14)19(20)21/h4-8,14H,1-3H3/b16-15+
InChIKeyIYIVOFPDEWRKHR-FOCLMDBBSA-N
MW317.37 g/mol
LogP3.61
Rot. Bonds3

About (1,2-dimethylindol-3-yl)-(3-methyl-5-nitro-2H-1,3-thiazol-2-yl)diazene

(1,2-dimethylindol-3-yl)-(3-methyl-5-nitro-2H-1,3-thiazol-2-yl)diazene (PubChem CID 87592312) has the molecular formula C14H15N5O2S and a molecular weight of 317.37 g/mol. Its IUPAC name is (1,2-dimethylindol-3-yl)-(3-methyl-5-nitro-2H-1,3-thiazol-2-yl)diazene.

Molecular Properties

Compound Name(1,2-dimethylindol-3-yl)-(3-methyl-5-nitro-2H-1,3-thiazol-2-yl)diazene
PubChem CID87592312
Molecular FormulaC14H15N5O2S
Molecular Weight317.37 g/mol
Exact Mass317.09
IUPAC Name(1,2-dimethylindol-3-yl)-(3-methyl-5-nitro-2H-1,3-thiazol-2-yl)diazene
SMILESCc1c(/N=N/C2SC([N+](=O)[O-])=CN2C)c2ccccc2n1C
InChIInChI=1S/C14H15N5O2S/c1-9-13(10-6-4-5-7-11(10)18(9)3)15-16-14-17(2)8-12(22-14)19(20)21/h4-8,14H,1-3H3/b16-15+
InChIKeyIYIVOFPDEWRKHR-FOCLMDBBSA-N
XLogP3.61
TPSA76.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 53.61
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (1,2-dimethylindol-3-yl)-(3-methyl-5-nitro-2H-1,3-thiazol-2-yl)diazene?
The IUPAC name of (1,2-dimethylindol-3-yl)-(3-methyl-5-nitro-2H-1,3-thiazol-2-yl)diazene (CID 87592312) is (1,2-dimethylindol-3-yl)-(3-methyl-5-nitro-2H-1,3-thiazol-2-yl)diazene.
What is the SMILES notation for (1,2-dimethylindol-3-yl)-(3-methyl-5-nitro-2H-1,3-thiazol-2-yl)diazene?
The canonical SMILES for (1,2-dimethylindol-3-yl)-(3-methyl-5-nitro-2H-1,3-thiazol-2-yl)diazene is Cc1c(/N=N/C2SC([N+](=O)[O-])=CN2C)c2ccccc2n1C.
What is the InChIKey of (1,2-dimethylindol-3-yl)-(3-methyl-5-nitro-2H-1,3-thiazol-2-yl)diazene?
The InChIKey is IYIVOFPDEWRKHR-FOCLMDBBSA-N. The full InChI is InChI=1S/C14H15N5O2S/c1-9-13(10-6-4-5-7-11(10)18(9)3)15-16-14-17(2)8-12(22-14)19(20)21/h4-8,14H,1-3H3/b16-15+.
What are the key properties of (1,2-dimethylindol-3-yl)-(3-methyl-5-nitro-2H-1,3-thiazol-2-yl)diazene?
(1,2-dimethylindol-3-yl)-(3-methyl-5-nitro-2H-1,3-thiazol-2-yl)diazene has a molecular weight of 317.37 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethylindol-3-yl)-(3-methyl-5-nitro-2H-1,3-thiazol-2-yl)diazene is sourced from PubChem (CID 87592312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).