oxan-4-yl 2-(aminomethyl)-4-methyl-1,3-thiazole-5-carboxylate

C11H16N2O3S — CID 63627982

IUPACoxan-4-yl 2-(aminomethyl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(CN)sc1C(=O)OC1CCOCC1
InChIInChI=1S/C11H16N2O3S/c1-7-10(17-9(6-12)13-7)11(14)16-8-2-4-15-5-3-8/h8H,2-6,12H2,1H3
InChIKeyKPHSPBLIXLWKEG-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.25
Rot. Bonds3

About oxan-4-yl 2-(aminomethyl)-4-methyl-1,3-thiazole-5-carboxylate

oxan-4-yl 2-(aminomethyl)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 63627982) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is oxan-4-yl 2-(aminomethyl)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameoxan-4-yl 2-(aminomethyl)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID63627982
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Nameoxan-4-yl 2-(aminomethyl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(CN)sc1C(=O)OC1CCOCC1
InChIInChI=1S/C11H16N2O3S/c1-7-10(17-9(6-12)13-7)11(14)16-8-2-4-15-5-3-8/h8H,2-6,12H2,1H3
InChIKeyKPHSPBLIXLWKEG-UHFFFAOYSA-N
XLogP1.25
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze oxan-4-yl 2-(aminomethyl)-4-methyl-1,3-thiazole-5-carboxylate 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 oxan-4-yl 2-(aminomethyl)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of oxan-4-yl 2-(aminomethyl)-4-methyl-1,3-thiazole-5-carboxylate (CID 63627982) is oxan-4-yl 2-(aminomethyl)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for oxan-4-yl 2-(aminomethyl)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for oxan-4-yl 2-(aminomethyl)-4-methyl-1,3-thiazole-5-carboxylate is Cc1nc(CN)sc1C(=O)OC1CCOCC1.
What is the InChIKey of oxan-4-yl 2-(aminomethyl)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is KPHSPBLIXLWKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-7-10(17-9(6-12)13-7)11(14)16-8-2-4-15-5-3-8/h8H,2-6,12H2,1H3.
What are the key properties of oxan-4-yl 2-(aminomethyl)-4-methyl-1,3-thiazole-5-carboxylate?
oxan-4-yl 2-(aminomethyl)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 256.33 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl 2-(aminomethyl)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 63627982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).