(4,7-Dihydro-1-thia-4,5-diaza-cyclopenta[a]pentalen-6-yl)-(3-methoxy-phenyl)-amine

HCID 18445686
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Basic information

Standard SMILES
COc1cccc(Nc2n[nH]c3c2Cc2sccc2-3)c1
InChIKey
XTMITYYTYVWYCU-UHFFFAOYSA-N
Molecular formula
C15H13N3OS
Average molar mass
283.4 g/mol
Monoisotopic mass
283.07793322

Names & identifiers

Preferred name
(4,7-Dihydro-1-thia-4,5-diaza-cyclopenta[a]pentalen-6-yl)-(3-methoxy-phenyl)-amine
IUPAC
N-(3-methoxyphenyl)-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-5-amine

Names & synonyms

SCHEMBL4049038SCHEMBL15312306XTMITYYTYVWYCU-UHFFFAOYSA-N(4,7-Dihydro-1-thia-4,5-diaza-cyclopenta[a]pentalen-6-yl)-(3-methoxy-phenyl)-amine

Database identifiers

PubChem CID
18445686

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
78.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
20

Related reactions

1 records
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Compound notes

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