1-[2-(1-methylimidazol-2-yl)ethyl]-3-propylthiourea

C10H18N4S — CID 116508135

IUPAC1-[2-(1-methylimidazol-2-yl)ethyl]-3-propylthiourea
SMILESCCCNC(=S)NCCc1nccn1C
InChIInChI=1S/C10H18N4S/c1-3-5-12-10(15)13-6-4-9-11-7-8-14(9)2/h7-8H,3-6H2,1-2H3,(H2,12,13,15)
InChIKeyBQEPBCMPTPYIKT-UHFFFAOYSA-N
MW226.35 g/mol
LogP0.84
Rot. Bonds5

About 1-[2-(1-methylimidazol-2-yl)ethyl]-3-propylthiourea

1-[2-(1-methylimidazol-2-yl)ethyl]-3-propylthiourea (PubChem CID 116508135) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 1-[2-(1-methylimidazol-2-yl)ethyl]-3-propylthiourea.

Molecular Properties

Compound Name1-[2-(1-methylimidazol-2-yl)ethyl]-3-propylthiourea
PubChem CID116508135
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name1-[2-(1-methylimidazol-2-yl)ethyl]-3-propylthiourea
SMILESCCCNC(=S)NCCc1nccn1C
InChIInChI=1S/C10H18N4S/c1-3-5-12-10(15)13-6-4-9-11-7-8-14(9)2/h7-8H,3-6H2,1-2H3,(H2,12,13,15)
InChIKeyBQEPBCMPTPYIKT-UHFFFAOYSA-N
XLogP0.84
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(1-methylimidazol-2-yl)ethyl]-3-propylthiourea with MolForge

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

Launch Full Analysis

Related Compounds

1-cyclopentyl-3-[2-(1-methylimidazol-2-yl)ethyl]thiourea
CID 116508143
1-butyl-3-[(1-methylimidazol-2-yl)methyl]thiourea
CID 116508535
N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 61214414
3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 64503736
3-[2-(1-methylimidazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 62232290
azane;1-methyl-2-propylimidazole
CID 174525892
N-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine
CID 61214559
methanamine;1-methyl-2-propylimidazole
CID 164902083
1-amino-2-butyl-3-[2-(1-methylimidazol-2-yl)ethyl]guanidine
CID 116514693
3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-3-amine
CID 106328740
N-[2-(1-methylimidazol-2-yl)ethyl]propane-1-sulfonamide
CID 62038834
ethyl 2-[2-(1-methylimidazol-2-yl)ethylamino]butanoate
CID 64669742

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylimidazol-2-yl)ethyl]-3-propylthiourea?
The IUPAC name of 1-[2-(1-methylimidazol-2-yl)ethyl]-3-propylthiourea (CID 116508135) is 1-[2-(1-methylimidazol-2-yl)ethyl]-3-propylthiourea.
What is the SMILES notation for 1-[2-(1-methylimidazol-2-yl)ethyl]-3-propylthiourea?
The canonical SMILES for 1-[2-(1-methylimidazol-2-yl)ethyl]-3-propylthiourea is CCCNC(=S)NCCc1nccn1C.
What is the InChIKey of 1-[2-(1-methylimidazol-2-yl)ethyl]-3-propylthiourea?
The InChIKey is BQEPBCMPTPYIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-3-5-12-10(15)13-6-4-9-11-7-8-14(9)2/h7-8H,3-6H2,1-2H3,(H2,12,13,15).
What are the key properties of 1-[2-(1-methylimidazol-2-yl)ethyl]-3-propylthiourea?
1-[2-(1-methylimidazol-2-yl)ethyl]-3-propylthiourea has a molecular weight of 226.35 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylimidazol-2-yl)ethyl]-3-propylthiourea is sourced from PubChem (CID 116508135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).