[(Z)-1-(4-methoxyphenyl)ethylideneamino]thiourea

C10H13N3OS — CID 5354108

IUPAC[(Z)-1-(4-methoxyphenyl)ethylideneamino]thiourea
SMILESCOc1ccc(/C(C)=N\NC(N)=S)cc1
InChIInChI=1S/C10H13N3OS/c1-7(12-13-10(11)15)8-3-5-9(14-2)6-4-8/h3-6H,1-2H3,(H3,11,13,15)/b12-7-
InChIKeyJPXKIPVPEBSPLT-GHXNOFRVSA-N
MW223.30 g/mol
LogP1.25
Rot. Bonds3

About [(Z)-1-(4-methoxyphenyl)ethylideneamino]thiourea

[(Z)-1-(4-methoxyphenyl)ethylideneamino]thiourea (PubChem CID 5354108) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is [(Z)-1-(4-methoxyphenyl)ethylideneamino]thiourea.

Molecular Properties

Compound Name[(Z)-1-(4-methoxyphenyl)ethylideneamino]thiourea
PubChem CID5354108
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name[(Z)-1-(4-methoxyphenyl)ethylideneamino]thiourea
SMILESCOc1ccc(/C(C)=N\NC(N)=S)cc1
InChIInChI=1S/C10H13N3OS/c1-7(12-13-10(11)15)8-3-5-9(14-2)6-4-8/h3-6H,1-2H3,(H3,11,13,15)/b12-7-
InChIKeyJPXKIPVPEBSPLT-GHXNOFRVSA-N
XLogP1.25
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.25
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': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-1-(4-methoxyphenyl)ethylideneamino]thiourea?
The IUPAC name of [(Z)-1-(4-methoxyphenyl)ethylideneamino]thiourea (CID 5354108) is [(Z)-1-(4-methoxyphenyl)ethylideneamino]thiourea.
What is the SMILES notation for [(Z)-1-(4-methoxyphenyl)ethylideneamino]thiourea?
The canonical SMILES for [(Z)-1-(4-methoxyphenyl)ethylideneamino]thiourea is COc1ccc(/C(C)=N\NC(N)=S)cc1.
What is the InChIKey of [(Z)-1-(4-methoxyphenyl)ethylideneamino]thiourea?
The InChIKey is JPXKIPVPEBSPLT-GHXNOFRVSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-7(12-13-10(11)15)8-3-5-9(14-2)6-4-8/h3-6H,1-2H3,(H3,11,13,15)/b12-7-.
What are the key properties of [(Z)-1-(4-methoxyphenyl)ethylideneamino]thiourea?
[(Z)-1-(4-methoxyphenyl)ethylideneamino]thiourea has a molecular weight of 223.30 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(4-methoxyphenyl)ethylideneamino]thiourea is sourced from PubChem (CID 5354108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).