1-prop-2-enyl-3-(1,2,3,4-tetrahydroacridin-9-ylamino)thiourea

C17H20N4S — CID 155557054

IUPAC1-prop-2-enyl-3-(1,2,3,4-tetrahydroacridin-9-ylamino)thiourea
SMILESC=CCNC(=S)NNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C17H20N4S/c1-2-11-18-17(22)21-20-16-12-7-3-5-9-14(12)19-15-10-6-4-8-13(15)16/h2-3,5,7,9H,1,4,6,8,10-11H2,(H,19,20)(H2,18,21,22)
InChIKeyZNKBYJMHBTUJRQ-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.09
Rot. Bonds4

About 1-prop-2-enyl-3-(1,2,3,4-tetrahydroacridin-9-ylamino)thiourea

1-prop-2-enyl-3-(1,2,3,4-tetrahydroacridin-9-ylamino)thiourea (PubChem CID 155557054) has the molecular formula C17H20N4S and a molecular weight of 312.44 g/mol. Its IUPAC name is 1-prop-2-enyl-3-(1,2,3,4-tetrahydroacridin-9-ylamino)thiourea.

Molecular Properties

Compound Name1-prop-2-enyl-3-(1,2,3,4-tetrahydroacridin-9-ylamino)thiourea
PubChem CID155557054
Molecular FormulaC17H20N4S
Molecular Weight312.44 g/mol
Exact Mass312.14
IUPAC Name1-prop-2-enyl-3-(1,2,3,4-tetrahydroacridin-9-ylamino)thiourea
SMILESC=CCNC(=S)NNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C17H20N4S/c1-2-11-18-17(22)21-20-16-12-7-3-5-9-14(12)19-15-10-6-4-8-13(15)16/h2-3,5,7,9H,1,4,6,8,10-11H2,(H,19,20)(H2,18,21,22)
InChIKeyZNKBYJMHBTUJRQ-UHFFFAOYSA-N
XLogP3.09
TPSA48.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-(1,2,3,4-tetrahydroacridin-9-ylamino)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-(1,2,3,4-tetrahydroacridin-9-ylamino)thiourea?
The IUPAC name of 1-prop-2-enyl-3-(1,2,3,4-tetrahydroacridin-9-ylamino)thiourea (CID 155557054) is 1-prop-2-enyl-3-(1,2,3,4-tetrahydroacridin-9-ylamino)thiourea.
What is the SMILES notation for 1-prop-2-enyl-3-(1,2,3,4-tetrahydroacridin-9-ylamino)thiourea?
The canonical SMILES for 1-prop-2-enyl-3-(1,2,3,4-tetrahydroacridin-9-ylamino)thiourea is C=CCNC(=S)NNc1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of 1-prop-2-enyl-3-(1,2,3,4-tetrahydroacridin-9-ylamino)thiourea?
The InChIKey is ZNKBYJMHBTUJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4S/c1-2-11-18-17(22)21-20-16-12-7-3-5-9-14(12)19-15-10-6-4-8-13(15)16/h2-3,5,7,9H,1,4,6,8,10-11H2,(H,19,20)(H2,18,21,22).
What are the key properties of 1-prop-2-enyl-3-(1,2,3,4-tetrahydroacridin-9-ylamino)thiourea?
1-prop-2-enyl-3-(1,2,3,4-tetrahydroacridin-9-ylamino)thiourea has a molecular weight of 312.44 g/mol, XLogP of 3.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-3-(1,2,3,4-tetrahydroacridin-9-ylamino)thiourea is sourced from PubChem (CID 155557054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).