1-methyl-3-[2-[2-(1,2-thiazol-3-yl)ethylamino]ethyl]thiourea

C9H16N4S2 — CID 20557666

IUPAC1-methyl-3-[2-[2-(1,2-thiazol-3-yl)ethylamino]ethyl]thiourea
SMILESCNC(=S)NCCNCCc1ccsn1
InChIInChI=1S/C9H16N4S2/c1-10-9(14)12-6-5-11-4-2-8-3-7-15-13-8/h3,7,11H,2,4-6H2,1H3,(H2,10,12,14)
InChIKeyBIRYYZLKURXWCG-UHFFFAOYSA-N
MW244.39 g/mol
LogP0.37
Rot. Bonds6

About 1-methyl-3-[2-[2-(1,2-thiazol-3-yl)ethylamino]ethyl]thiourea

1-methyl-3-[2-[2-(1,2-thiazol-3-yl)ethylamino]ethyl]thiourea (PubChem CID 20557666) has the molecular formula C9H16N4S2 and a molecular weight of 244.39 g/mol. Its IUPAC name is 1-methyl-3-[2-[2-(1,2-thiazol-3-yl)ethylamino]ethyl]thiourea.

Molecular Properties

Compound Name1-methyl-3-[2-[2-(1,2-thiazol-3-yl)ethylamino]ethyl]thiourea
PubChem CID20557666
Molecular FormulaC9H16N4S2
Molecular Weight244.39 g/mol
Exact Mass244.08
IUPAC Name1-methyl-3-[2-[2-(1,2-thiazol-3-yl)ethylamino]ethyl]thiourea
SMILESCNC(=S)NCCNCCc1ccsn1
InChIInChI=1S/C9H16N4S2/c1-10-9(14)12-6-5-11-4-2-8-3-7-15-13-8/h3,7,11H,2,4-6H2,1H3,(H2,10,12,14)
InChIKeyBIRYYZLKURXWCG-UHFFFAOYSA-N
XLogP0.37
TPSA48.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.39
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-methyl-3-[2-[2-(1,2-thiazol-3-yl)ethylamino]ethyl]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-methyl-3-[2-[2-(1,2-thiazol-3-yl)ethylamino]ethyl]thiourea?
The IUPAC name of 1-methyl-3-[2-[2-(1,2-thiazol-3-yl)ethylamino]ethyl]thiourea (CID 20557666) is 1-methyl-3-[2-[2-(1,2-thiazol-3-yl)ethylamino]ethyl]thiourea.
What is the SMILES notation for 1-methyl-3-[2-[2-(1,2-thiazol-3-yl)ethylamino]ethyl]thiourea?
The canonical SMILES for 1-methyl-3-[2-[2-(1,2-thiazol-3-yl)ethylamino]ethyl]thiourea is CNC(=S)NCCNCCc1ccsn1.
What is the InChIKey of 1-methyl-3-[2-[2-(1,2-thiazol-3-yl)ethylamino]ethyl]thiourea?
The InChIKey is BIRYYZLKURXWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S2/c1-10-9(14)12-6-5-11-4-2-8-3-7-15-13-8/h3,7,11H,2,4-6H2,1H3,(H2,10,12,14).
What are the key properties of 1-methyl-3-[2-[2-(1,2-thiazol-3-yl)ethylamino]ethyl]thiourea?
1-methyl-3-[2-[2-(1,2-thiazol-3-yl)ethylamino]ethyl]thiourea has a molecular weight of 244.39 g/mol, XLogP of 0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-[2-(1,2-thiazol-3-yl)ethylamino]ethyl]thiourea is sourced from PubChem (CID 20557666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).