4-[[3-(oxolan-2-yl)propylamino]methyl]-3H-1,3-thiazol-2-one

C11H18N2O2S — CID 106381069

IUPAC4-[[3-(oxolan-2-yl)propylamino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCCCC2CCCO2)cs1
InChIInChI=1S/C11H18N2O2S/c14-11-13-9(8-16-11)7-12-5-1-3-10-4-2-6-15-10/h8,10,12H,1-7H2,(H,13,14)
InChIKeyDIULLNYRJHQNJN-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.49
Rot. Bonds6

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

4-[[3-(oxolan-2-yl)propylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381069) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 4-[[3-(oxolan-2-yl)propylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[3-(oxolan-2-yl)propylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106381069
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name4-[[3-(oxolan-2-yl)propylamino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCCCC2CCCO2)cs1
InChIInChI=1S/C11H18N2O2S/c14-11-13-9(8-16-11)7-12-5-1-3-10-4-2-6-15-10/h8,10,12H,1-7H2,(H,13,14)
InChIKeyDIULLNYRJHQNJN-UHFFFAOYSA-N
XLogP1.49
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[[3-(oxolan-2-yl)propylamino]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

Related Compounds

4-[(oxolan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379957
4-[[(2-methyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380092
4-[[(5-methyloxolan-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380236
4-[[(4-methoxycyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380520
4-[[(2-ethyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380525
4-[[(2-propyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380527
4-[[(2,6-dimethyloxan-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380544
4-[[2-(oxolan-2-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380854
4-[(oxan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380921
4-[[[5-(aminomethyl)oxolan-2-yl]methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381837

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(oxolan-2-yl)propylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[3-(oxolan-2-yl)propylamino]methyl]-3H-1,3-thiazol-2-one (CID 106381069) is 4-[[3-(oxolan-2-yl)propylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[3-(oxolan-2-yl)propylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[3-(oxolan-2-yl)propylamino]methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNCCCC2CCCO2)cs1.
What is the InChIKey of 4-[[3-(oxolan-2-yl)propylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is DIULLNYRJHQNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c14-11-13-9(8-16-11)7-12-5-1-3-10-4-2-6-15-10/h8,10,12H,1-7H2,(H,13,14).
What are the key properties of 4-[[3-(oxolan-2-yl)propylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[3-(oxolan-2-yl)propylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 242.34 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(oxolan-2-yl)propylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).