1-[(E)-1-pyridin-2-ylethylideneamino]-3-(1,3-thiazol-2-yl)thiourea

C11H11N5S2 — CID 5378025

IUPAC1-[(E)-1-pyridin-2-ylethylideneamino]-3-(1,3-thiazol-2-yl)thiourea
SMILESC/C(=N\NC(=S)Nc1nccs1)c1ccccn1
InChIInChI=1S/C11H11N5S2/c1-8(9-4-2-3-5-12-9)15-16-10(17)14-11-13-6-7-18-11/h2-7H,1H3,(H2,13,14,16,17)/b15-8+
InChIKeyZKDZODSVPQCQJV-OVCLIPMQSA-N
MW277.38 g/mol
LogP2.25
Rot. Bonds3

About 1-[(E)-1-pyridin-2-ylethylideneamino]-3-(1,3-thiazol-2-yl)thiourea

1-[(E)-1-pyridin-2-ylethylideneamino]-3-(1,3-thiazol-2-yl)thiourea (PubChem CID 5378025) has the molecular formula C11H11N5S2 and a molecular weight of 277.38 g/mol. Its IUPAC name is 1-[(E)-1-pyridin-2-ylethylideneamino]-3-(1,3-thiazol-2-yl)thiourea.

Molecular Properties

Compound Name1-[(E)-1-pyridin-2-ylethylideneamino]-3-(1,3-thiazol-2-yl)thiourea
PubChem CID5378025
Molecular FormulaC11H11N5S2
Molecular Weight277.38 g/mol
Exact Mass277.05
IUPAC Name1-[(E)-1-pyridin-2-ylethylideneamino]-3-(1,3-thiazol-2-yl)thiourea
SMILESC/C(=N\NC(=S)Nc1nccs1)c1ccccn1
InChIInChI=1S/C11H11N5S2/c1-8(9-4-2-3-5-12-9)15-16-10(17)14-11-13-6-7-18-11/h2-7H,1H3,(H2,13,14,16,17)/b15-8+
InChIKeyZKDZODSVPQCQJV-OVCLIPMQSA-N
XLogP2.25
TPSA62.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze 1-[(E)-1-pyridin-2-ylethylideneamino]-3-(1,3-thiazol-2-yl)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-[(E)-1-pyridin-2-ylethylideneamino]-3-(1,3-thiazol-2-yl)thiourea?
The IUPAC name of 1-[(E)-1-pyridin-2-ylethylideneamino]-3-(1,3-thiazol-2-yl)thiourea (CID 5378025) is 1-[(E)-1-pyridin-2-ylethylideneamino]-3-(1,3-thiazol-2-yl)thiourea.
What is the SMILES notation for 1-[(E)-1-pyridin-2-ylethylideneamino]-3-(1,3-thiazol-2-yl)thiourea?
The canonical SMILES for 1-[(E)-1-pyridin-2-ylethylideneamino]-3-(1,3-thiazol-2-yl)thiourea is C/C(=N\NC(=S)Nc1nccs1)c1ccccn1.
What is the InChIKey of 1-[(E)-1-pyridin-2-ylethylideneamino]-3-(1,3-thiazol-2-yl)thiourea?
The InChIKey is ZKDZODSVPQCQJV-OVCLIPMQSA-N. The full InChI is InChI=1S/C11H11N5S2/c1-8(9-4-2-3-5-12-9)15-16-10(17)14-11-13-6-7-18-11/h2-7H,1H3,(H2,13,14,16,17)/b15-8+.
What are the key properties of 1-[(E)-1-pyridin-2-ylethylideneamino]-3-(1,3-thiazol-2-yl)thiourea?
1-[(E)-1-pyridin-2-ylethylideneamino]-3-(1,3-thiazol-2-yl)thiourea has a molecular weight of 277.38 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-pyridin-2-ylethylideneamino]-3-(1,3-thiazol-2-yl)thiourea is sourced from PubChem (CID 5378025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).