[(E)-acridin-9-ylmethylideneamino]thiourea

C15H12N4S — CID 127261622

IUPAC[(E)-acridin-9-ylmethylideneamino]thiourea
SMILESNC(=S)N/N=C/c1c2ccccc2nc2ccccc12
InChIInChI=1S/C15H12N4S/c16-15(20)19-17-9-12-10-5-1-3-7-13(10)18-14-8-4-2-6-11(12)14/h1-9H,(H3,16,19,20)/b17-9+
InChIKeyASJZIAZNUADFEJ-RQZCQDPDSA-N
MW280.36 g/mol
LogP2.56
Rot. Bonds2

About [(E)-acridin-9-ylmethylideneamino]thiourea

[(E)-acridin-9-ylmethylideneamino]thiourea (PubChem CID 127261622) has the molecular formula C15H12N4S and a molecular weight of 280.36 g/mol. Its IUPAC name is [(E)-acridin-9-ylmethylideneamino]thiourea.

Molecular Properties

Compound Name[(E)-acridin-9-ylmethylideneamino]thiourea
PubChem CID127261622
Molecular FormulaC15H12N4S
Molecular Weight280.36 g/mol
Exact Mass280.08
IUPAC Name[(E)-acridin-9-ylmethylideneamino]thiourea
SMILESNC(=S)N/N=C/c1c2ccccc2nc2ccccc12
InChIInChI=1S/C15H12N4S/c16-15(20)19-17-9-12-10-5-1-3-7-13(10)18-14-8-4-2-6-11(12)14/h1-9H,(H3,16,19,20)/b17-9+
InChIKeyASJZIAZNUADFEJ-RQZCQDPDSA-N
XLogP2.56
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(acridin-9-ylmethylideneamino)thiourea
CID 71356820
(anthracen-9-ylmethylideneamino)thiourea
CID 668113
[(Z)-(10-methylanthracen-9-yl)methylideneamino]thiourea
CID 126008593
N-(acridin-9-ylmethylidene)hydroxylamine
CID 173111257
[(E)-(9-oxo-1H-pyrazolo[5,1-b]quinazolin-3-yl)methylideneamino]thiourea
CID 135513833
[(2-chloroquinolin-3-yl)methylideneamino]thiourea
CID 71333342
[(Z)-(1-benzylbenzimidazol-2-yl)methylideneamino]thiourea
CID 5404540
[(E)-[2-(3-methylimidazol-4-yl)quinolin-4-yl]methylideneamino]thiourea
CID 58896745
[(Z)-pyridin-2-ylmethylideneamino]thiourea
CID 5354113
[(E)-(4-phenylphenyl)methylideneamino]thiourea;hydrate
CID 139078865
[(E)-benzylideneamino]thiourea;ethane;ethane;tungsten
CID 172958420
[(4-bromonaphthalen-2-yl)methylideneamino]thiourea
CID 168535998

Frequently Asked Questions

What is the IUPAC name of [(E)-acridin-9-ylmethylideneamino]thiourea?
The IUPAC name of [(E)-acridin-9-ylmethylideneamino]thiourea (CID 127261622) is [(E)-acridin-9-ylmethylideneamino]thiourea.
What is the SMILES notation for [(E)-acridin-9-ylmethylideneamino]thiourea?
The canonical SMILES for [(E)-acridin-9-ylmethylideneamino]thiourea is NC(=S)N/N=C/c1c2ccccc2nc2ccccc12.
What is the InChIKey of [(E)-acridin-9-ylmethylideneamino]thiourea?
The InChIKey is ASJZIAZNUADFEJ-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H12N4S/c16-15(20)19-17-9-12-10-5-1-3-7-13(10)18-14-8-4-2-6-11(12)14/h1-9H,(H3,16,19,20)/b17-9+.
What are the key properties of [(E)-acridin-9-ylmethylideneamino]thiourea?
[(E)-acridin-9-ylmethylideneamino]thiourea has a molecular weight of 280.36 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-acridin-9-ylmethylideneamino]thiourea is sourced from PubChem (CID 127261622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).