1-prop-2-enyl-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea

C11H14N4S — CID 5371064

IUPAC1-prop-2-enyl-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea
SMILESC=CCNC(=S)N/N=C(\C)c1ccccn1
InChIInChI=1S/C11H14N4S/c1-3-7-13-11(16)15-14-9(2)10-6-4-5-8-12-10/h3-6,8H,1,7H2,2H3,(H2,13,15,16)/b14-9+
InChIKeyFDKSOUXJZSXTHD-NTEUORMPSA-N
MW234.33 g/mol
LogP1.46
Rot. Bonds4

About 1-prop-2-enyl-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea

1-prop-2-enyl-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea (PubChem CID 5371064) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is 1-prop-2-enyl-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea.

Molecular Properties

Compound Name1-prop-2-enyl-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea
PubChem CID5371064
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name1-prop-2-enyl-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea
SMILESC=CCNC(=S)N/N=C(\C)c1ccccn1
InChIInChI=1S/C11H14N4S/c1-3-7-13-11(16)15-14-9(2)10-6-4-5-8-12-10/h3-6,8H,1,7H2,2H3,(H2,13,15,16)/b14-9+
InChIKeyFDKSOUXJZSXTHD-NTEUORMPSA-N
XLogP1.46
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-prop-2-enyl-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea?
The IUPAC name of 1-prop-2-enyl-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea (CID 5371064) is 1-prop-2-enyl-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea.
What is the SMILES notation for 1-prop-2-enyl-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea?
The canonical SMILES for 1-prop-2-enyl-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea is C=CCNC(=S)N/N=C(\C)c1ccccn1.
What is the InChIKey of 1-prop-2-enyl-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea?
The InChIKey is FDKSOUXJZSXTHD-NTEUORMPSA-N. The full InChI is InChI=1S/C11H14N4S/c1-3-7-13-11(16)15-14-9(2)10-6-4-5-8-12-10/h3-6,8H,1,7H2,2H3,(H2,13,15,16)/b14-9+.
What are the key properties of 1-prop-2-enyl-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea?
1-prop-2-enyl-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea has a molecular weight of 234.33 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea is sourced from PubChem (CID 5371064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).