N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyloxolan-3-amine

C11H18N2OS — CID 172900355

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyloxolan-3-amine
SMILESCc1nc(C)c(CN(C)C2CCOC2)s1
InChIInChI=1S/C11H18N2OS/c1-8-11(15-9(2)12-8)6-13(3)10-4-5-14-7-10/h10H,4-7H2,1-3H3
InChIKeyJQWGIELAORMTFB-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.98
Rot. Bonds3

About N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyloxolan-3-amine

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyloxolan-3-amine (PubChem CID 172900355) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyloxolan-3-amine
PubChem CID172900355
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyloxolan-3-amine
SMILESCc1nc(C)c(CN(C)C2CCOC2)s1
InChIInChI=1S/C11H18N2OS/c1-8-11(15-9(2)12-8)6-13(3)10-4-5-14-7-10/h10H,4-7H2,1-3H3
InChIKeyJQWGIELAORMTFB-UHFFFAOYSA-N
XLogP1.98
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyloxolan-3-amine 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 N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyloxolan-3-amine?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyloxolan-3-amine (CID 172900355) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyloxolan-3-amine.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyloxolan-3-amine?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyloxolan-3-amine is Cc1nc(C)c(CN(C)C2CCOC2)s1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyloxolan-3-amine?
The InChIKey is JQWGIELAORMTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8-11(15-9(2)12-8)6-13(3)10-4-5-14-7-10/h10H,4-7H2,1-3H3.
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyloxolan-3-amine?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyloxolan-3-amine has a molecular weight of 226.34 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyloxolan-3-amine is sourced from PubChem (CID 172900355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).