1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(oxan-4-yl)methanamine

C12H20N2OS — CID 62385249

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(oxan-4-yl)methanamine
SMILESCNC(c1nc(C)c(C)s1)C1CCOCC1
InChIInChI=1S/C12H20N2OS/c1-8-9(2)16-12(14-8)11(13-3)10-4-6-15-7-5-10/h10-11,13H,4-7H2,1-3H3
InChIKeyWGJLDOBNKPFGAQ-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.45
Rot. Bonds3

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

1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(oxan-4-yl)methanamine (PubChem CID 62385249) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(oxan-4-yl)methanamine
PubChem CID62385249
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(oxan-4-yl)methanamine
SMILESCNC(c1nc(C)c(C)s1)C1CCOCC1
InChIInChI=1S/C12H20N2OS/c1-8-9(2)16-12(14-8)11(13-3)10-4-6-15-7-5-10/h10-11,13H,4-7H2,1-3H3
InChIKeyWGJLDOBNKPFGAQ-UHFFFAOYSA-N
XLogP2.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(oxan-4-yl)methanamine?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(oxan-4-yl)methanamine (CID 62385249) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(oxan-4-yl)methanamine.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(oxan-4-yl)methanamine?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(oxan-4-yl)methanamine is CNC(c1nc(C)c(C)s1)C1CCOCC1.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(oxan-4-yl)methanamine?
The InChIKey is WGJLDOBNKPFGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-8-9(2)16-12(14-8)11(13-3)10-4-6-15-7-5-10/h10-11,13H,4-7H2,1-3H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(oxan-4-yl)methanamine?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(oxan-4-yl)methanamine has a molecular weight of 240.37 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 62385249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).