4-methyl-N-(1,3-thiazol-4-ylmethyl)oxan-4-amine

C10H16N2OS — CID 115758149

IUPAC4-methyl-N-(1,3-thiazol-4-ylmethyl)oxan-4-amine
SMILESCC1(NCc2cscn2)CCOCC1
InChIInChI=1S/C10H16N2OS/c1-10(2-4-13-5-3-10)12-6-9-7-14-8-11-9/h7-8,12H,2-6H2,1H3
InChIKeyOXJHFSPVMCKBTO-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.80
Rot. Bonds3

About 4-methyl-N-(1,3-thiazol-4-ylmethyl)oxan-4-amine

4-methyl-N-(1,3-thiazol-4-ylmethyl)oxan-4-amine (PubChem CID 115758149) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 4-methyl-N-(1,3-thiazol-4-ylmethyl)oxan-4-amine.

Molecular Properties

Compound Name4-methyl-N-(1,3-thiazol-4-ylmethyl)oxan-4-amine
PubChem CID115758149
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name4-methyl-N-(1,3-thiazol-4-ylmethyl)oxan-4-amine
SMILESCC1(NCc2cscn2)CCOCC1
InChIInChI=1S/C10H16N2OS/c1-10(2-4-13-5-3-10)12-6-9-7-14-8-11-9/h7-8,12H,2-6H2,1H3
InChIKeyOXJHFSPVMCKBTO-UHFFFAOYSA-N
XLogP1.80
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1,3-thiazol-4-ylmethylamino)methyl]oxan-4-amine
CID 115295514
N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine
CID 62904856
N-[(4-piperidin-1-yloxan-4-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine
CID 119129298
N-[(1-methylcyclohexyl)methyl]-1-(1,3-thiazol-4-yl)methanamine
CID 103753051
[1-(1,3-thiazol-4-ylmethylamino)cyclohexyl]methanol
CID 62521702
2,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,3-dioxan-5-amine
CID 104588940
4-methyl-N-(quinolin-2-ylmethyl)oxan-4-amine
CID 115757945
1-(1,3-thiazol-4-ylmethylamino)cyclobutane-1-carboxylic acid
CID 81167359
N-[[4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
CID 62391838
4-morpholin-4-yl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60685189
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methyloxan-4-amine
CID 115758035
[5-[[(4-methyloxan-4-yl)amino]methyl]furan-2-yl]methanol
CID 115758150

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1,3-thiazol-4-ylmethyl)oxan-4-amine?
The IUPAC name of 4-methyl-N-(1,3-thiazol-4-ylmethyl)oxan-4-amine (CID 115758149) is 4-methyl-N-(1,3-thiazol-4-ylmethyl)oxan-4-amine.
What is the SMILES notation for 4-methyl-N-(1,3-thiazol-4-ylmethyl)oxan-4-amine?
The canonical SMILES for 4-methyl-N-(1,3-thiazol-4-ylmethyl)oxan-4-amine is CC1(NCc2cscn2)CCOCC1.
What is the InChIKey of 4-methyl-N-(1,3-thiazol-4-ylmethyl)oxan-4-amine?
The InChIKey is OXJHFSPVMCKBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-10(2-4-13-5-3-10)12-6-9-7-14-8-11-9/h7-8,12H,2-6H2,1H3.
What are the key properties of 4-methyl-N-(1,3-thiazol-4-ylmethyl)oxan-4-amine?
4-methyl-N-(1,3-thiazol-4-ylmethyl)oxan-4-amine has a molecular weight of 212.32 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1,3-thiazol-4-ylmethyl)oxan-4-amine is sourced from PubChem (CID 115758149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).