[(E)-[4-(dimethylamino)phenyl]methylideneamino]thiourea

C10H14N4S — CID 6436743

IUPAC[(E)-[4-(dimethylamino)phenyl]methylideneamino]thiourea
SMILESCN(C)c1ccc(/C=N/NC(N)=S)cc1
InChIInChI=1S/C10H14N4S/c1-14(2)9-5-3-8(4-6-9)7-12-13-10(11)15/h3-7H,1-2H3,(H3,11,13,15)/b12-7+
InChIKeyMUDHKEQEBJQRRG-KPKJPENVSA-N
MW222.32 g/mol
LogP0.92
Rot. Bonds3

About [(E)-[4-(dimethylamino)phenyl]methylideneamino]thiourea

[(E)-[4-(dimethylamino)phenyl]methylideneamino]thiourea (PubChem CID 6436743) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is [(E)-[4-(dimethylamino)phenyl]methylideneamino]thiourea.

Molecular Properties

Compound Name[(E)-[4-(dimethylamino)phenyl]methylideneamino]thiourea
PubChem CID6436743
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC Name[(E)-[4-(dimethylamino)phenyl]methylideneamino]thiourea
SMILESCN(C)c1ccc(/C=N/NC(N)=S)cc1
InChIInChI=1S/C10H14N4S/c1-14(2)9-5-3-8(4-6-9)7-12-13-10(11)15/h3-7H,1-2H3,(H3,11,13,15)/b12-7+
InChIKeyMUDHKEQEBJQRRG-KPKJPENVSA-N
XLogP0.92
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 50.92
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 [(E)-[4-(dimethylamino)phenyl]methylideneamino]thiourea?
The IUPAC name of [(E)-[4-(dimethylamino)phenyl]methylideneamino]thiourea (CID 6436743) is [(E)-[4-(dimethylamino)phenyl]methylideneamino]thiourea.
What is the SMILES notation for [(E)-[4-(dimethylamino)phenyl]methylideneamino]thiourea?
The canonical SMILES for [(E)-[4-(dimethylamino)phenyl]methylideneamino]thiourea is CN(C)c1ccc(/C=N/NC(N)=S)cc1.
What is the InChIKey of [(E)-[4-(dimethylamino)phenyl]methylideneamino]thiourea?
The InChIKey is MUDHKEQEBJQRRG-KPKJPENVSA-N. The full InChI is InChI=1S/C10H14N4S/c1-14(2)9-5-3-8(4-6-9)7-12-13-10(11)15/h3-7H,1-2H3,(H3,11,13,15)/b12-7+.
What are the key properties of [(E)-[4-(dimethylamino)phenyl]methylideneamino]thiourea?
[(E)-[4-(dimethylamino)phenyl]methylideneamino]thiourea has a molecular weight of 222.32 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[4-(dimethylamino)phenyl]methylideneamino]thiourea is sourced from PubChem (CID 6436743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).