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

C13H22N2OS — CID 63740250

IUPACN-[(4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]ethanamine
SMILESCCNC(c1nc(C)c(C)s1)C1CCCOC1
InChIInChI=1S/C13H22N2OS/c1-4-14-12(11-6-5-7-16-8-11)13-15-9(2)10(3)17-13/h11-12,14H,4-8H2,1-3H3
InChIKeyLXOOZEOJMBZLRZ-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.84
Rot. Bonds4

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

N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]ethanamine (PubChem CID 63740250) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]ethanamine
PubChem CID63740250
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]ethanamine
SMILESCCNC(c1nc(C)c(C)s1)C1CCCOC1
InChIInChI=1S/C13H22N2OS/c1-4-14-12(11-6-5-7-16-8-11)13-15-9(2)10(3)17-13/h11-12,14H,4-8H2,1-3H3
InChIKeyLXOOZEOJMBZLRZ-UHFFFAOYSA-N
XLogP2.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]ethanamine 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-[(4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]ethanamine (CID 63740250) is N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]ethanamine is CCNC(c1nc(C)c(C)s1)C1CCCOC1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]ethanamine?
The InChIKey is LXOOZEOJMBZLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-4-14-12(11-6-5-7-16-8-11)13-15-9(2)10(3)17-13/h11-12,14H,4-8H2,1-3H3.
What are the key properties of N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]ethanamine?
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]ethanamine has a molecular weight of 254.40 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]ethanamine is sourced from PubChem (CID 63740250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).