4-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one

C10H14N4OS — CID 106380424

IUPAC4-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(NCc1csc(=O)[nH]1)c1nccn1C
InChIInChI=1S/C10H14N4OS/c1-7(9-11-3-4-14(9)2)12-5-8-6-16-10(15)13-8/h3-4,6-7,12H,5H2,1-2H3,(H,13,15)
InChIKeyLMDZPBMJUKNMNU-UHFFFAOYSA-N
MW238.32 g/mol
LogP1.02
Rot. Bonds4

About 4-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one

4-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380424) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 4-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380424
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name4-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(NCc1csc(=O)[nH]1)c1nccn1C
InChIInChI=1S/C10H14N4OS/c1-7(9-11-3-4-14(9)2)12-5-8-6-16-10(15)13-8/h3-4,6-7,12H,5H2,1-2H3,(H,13,15)
InChIKeyLMDZPBMJUKNMNU-UHFFFAOYSA-N
XLogP1.02
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one 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 4-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one (CID 106380424) is 4-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one is CC(NCc1csc(=O)[nH]1)c1nccn1C.
What is the InChIKey of 4-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is LMDZPBMJUKNMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-7(9-11-3-4-14(9)2)12-5-8-6-16-10(15)13-8/h3-4,6-7,12H,5H2,1-2H3,(H,13,15).
What are the key properties of 4-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 238.32 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).