4-[(1,3-thiazol-4-ylmethylamino)methyl]oxan-4-amine

C10H17N3OS — CID 115295514

IUPAC4-[(1,3-thiazol-4-ylmethylamino)methyl]oxan-4-amine
SMILESNC1(CNCc2cscn2)CCOCC1
InChIInChI=1S/C10H17N3OS/c11-10(1-3-14-4-2-10)7-12-5-9-6-15-8-13-9/h6,8,12H,1-5,7,11H2
InChIKeyGGWDELQQROGXHZ-UHFFFAOYSA-N
MW227.33 g/mol
LogP0.74
Rot. Bonds4

About 4-[(1,3-thiazol-4-ylmethylamino)methyl]oxan-4-amine

4-[(1,3-thiazol-4-ylmethylamino)methyl]oxan-4-amine (PubChem CID 115295514) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 4-[(1,3-thiazol-4-ylmethylamino)methyl]oxan-4-amine.

Molecular Properties

Compound Name4-[(1,3-thiazol-4-ylmethylamino)methyl]oxan-4-amine
PubChem CID115295514
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name4-[(1,3-thiazol-4-ylmethylamino)methyl]oxan-4-amine
SMILESNC1(CNCc2cscn2)CCOCC1
InChIInChI=1S/C10H17N3OS/c11-10(1-3-14-4-2-10)7-12-5-9-6-15-8-13-9/h6,8,12H,1-5,7,11H2
InChIKeyGGWDELQQROGXHZ-UHFFFAOYSA-N
XLogP0.74
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-piperidin-1-yloxan-4-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine
CID 119129298
4-methyl-N-(1,3-thiazol-4-ylmethyl)oxan-4-amine
CID 115758149
3-methyl-1-[(1,3-thiazol-4-ylmethylamino)methyl]cyclohexan-1-amine
CID 64553638
N-[(1-methylcyclohexyl)methyl]-1-(1,3-thiazol-4-yl)methanamine
CID 103753051
N-[(1-cyclopropylcyclopropyl)methyl]-1-(1,3-thiazol-4-yl)methanamine
CID 115757840
N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1,3-thiazol-4-yl)methanamine
CID 107267149
N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine
CID 62904856
2,2-diethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 115432832
4-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]oxan-4-amine
CID 113280989
3-[(thiophen-3-ylmethylamino)methyl]oxolan-3-amine
CID 64891433
N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
CID 75485215
3-fluoro-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 115732906

Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-thiazol-4-ylmethylamino)methyl]oxan-4-amine?
The IUPAC name of 4-[(1,3-thiazol-4-ylmethylamino)methyl]oxan-4-amine (CID 115295514) is 4-[(1,3-thiazol-4-ylmethylamino)methyl]oxan-4-amine.
What is the SMILES notation for 4-[(1,3-thiazol-4-ylmethylamino)methyl]oxan-4-amine?
The canonical SMILES for 4-[(1,3-thiazol-4-ylmethylamino)methyl]oxan-4-amine is NC1(CNCc2cscn2)CCOCC1.
What is the InChIKey of 4-[(1,3-thiazol-4-ylmethylamino)methyl]oxan-4-amine?
The InChIKey is GGWDELQQROGXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c11-10(1-3-14-4-2-10)7-12-5-9-6-15-8-13-9/h6,8,12H,1-5,7,11H2.
What are the key properties of 4-[(1,3-thiazol-4-ylmethylamino)methyl]oxan-4-amine?
4-[(1,3-thiazol-4-ylmethylamino)methyl]oxan-4-amine has a molecular weight of 227.33 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-thiazol-4-ylmethylamino)methyl]oxan-4-amine is sourced from PubChem (CID 115295514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).