[(Z)-(4-aminophenyl)methylideneamino]thiourea

C8H10N4S — CID 5354795

IUPAC[(Z)-(4-aminophenyl)methylideneamino]thiourea
SMILESNC(=S)N/N=C\c1ccc(N)cc1
InChIInChI=1S/C8H10N4S/c9-7-3-1-6(2-4-7)5-11-12-8(10)13/h1-5H,9H2,(H3,10,12,13)/b11-5-
InChIKeyMYWZDHHBMWNLCN-WZUFQYTHSA-N
MW194.26 g/mol
LogP0.44
Rot. Bonds2

About [(Z)-(4-aminophenyl)methylideneamino]thiourea

[(Z)-(4-aminophenyl)methylideneamino]thiourea (PubChem CID 5354795) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is [(Z)-(4-aminophenyl)methylideneamino]thiourea.

Molecular Properties

Compound Name[(Z)-(4-aminophenyl)methylideneamino]thiourea
PubChem CID5354795
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name[(Z)-(4-aminophenyl)methylideneamino]thiourea
SMILESNC(=S)N/N=C\c1ccc(N)cc1
InChIInChI=1S/C8H10N4S/c9-7-3-1-6(2-4-7)5-11-12-8(10)13/h1-5H,9H2,(H3,10,12,13)/b11-5-
InChIKeyMYWZDHHBMWNLCN-WZUFQYTHSA-N
XLogP0.44
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-(4-aminophenyl)methylideneamino]thiourea?
The IUPAC name of [(Z)-(4-aminophenyl)methylideneamino]thiourea (CID 5354795) is [(Z)-(4-aminophenyl)methylideneamino]thiourea.
What is the SMILES notation for [(Z)-(4-aminophenyl)methylideneamino]thiourea?
The canonical SMILES for [(Z)-(4-aminophenyl)methylideneamino]thiourea is NC(=S)N/N=C\c1ccc(N)cc1.
What is the InChIKey of [(Z)-(4-aminophenyl)methylideneamino]thiourea?
The InChIKey is MYWZDHHBMWNLCN-WZUFQYTHSA-N. The full InChI is InChI=1S/C8H10N4S/c9-7-3-1-6(2-4-7)5-11-12-8(10)13/h1-5H,9H2,(H3,10,12,13)/b11-5-.
What are the key properties of [(Z)-(4-aminophenyl)methylideneamino]thiourea?
[(Z)-(4-aminophenyl)methylideneamino]thiourea has a molecular weight of 194.26 g/mol, XLogP of 0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(4-aminophenyl)methylideneamino]thiourea is sourced from PubChem (CID 5354795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).