[3-(1,3-thiazol-4-ylmethyl)oxan-3-yl]methanamine

C10H16N2OS — CID 63010290

IUPAC[3-(1,3-thiazol-4-ylmethyl)oxan-3-yl]methanamine
SMILESNCC1(Cc2cscn2)CCCOC1
InChIInChI=1S/C10H16N2OS/c11-6-10(2-1-3-13-7-10)4-9-5-14-8-12-9/h5,8H,1-4,6-7,11H2
InChIKeyMSCUEOWWYSRFHR-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.44
Rot. Bonds3

About [3-(1,3-thiazol-4-ylmethyl)oxan-3-yl]methanamine

[3-(1,3-thiazol-4-ylmethyl)oxan-3-yl]methanamine (PubChem CID 63010290) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is [3-(1,3-thiazol-4-ylmethyl)oxan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(1,3-thiazol-4-ylmethyl)oxan-3-yl]methanamine
PubChem CID63010290
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name[3-(1,3-thiazol-4-ylmethyl)oxan-3-yl]methanamine
SMILESNCC1(Cc2cscn2)CCCOC1
InChIInChI=1S/C10H16N2OS/c11-6-10(2-1-3-13-7-10)4-9-5-14-8-12-9/h5,8H,1-4,6-7,11H2
InChIKeyMSCUEOWWYSRFHR-UHFFFAOYSA-N
XLogP1.44
TPSA48.14 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 ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(1,3-thiazol-4-ylmethyl)oxan-3-yl]methanamine?
The IUPAC name of [3-(1,3-thiazol-4-ylmethyl)oxan-3-yl]methanamine (CID 63010290) is [3-(1,3-thiazol-4-ylmethyl)oxan-3-yl]methanamine.
What is the SMILES notation for [3-(1,3-thiazol-4-ylmethyl)oxan-3-yl]methanamine?
The canonical SMILES for [3-(1,3-thiazol-4-ylmethyl)oxan-3-yl]methanamine is NCC1(Cc2cscn2)CCCOC1.
What is the InChIKey of [3-(1,3-thiazol-4-ylmethyl)oxan-3-yl]methanamine?
The InChIKey is MSCUEOWWYSRFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c11-6-10(2-1-3-13-7-10)4-9-5-14-8-12-9/h5,8H,1-4,6-7,11H2.
What are the key properties of [3-(1,3-thiazol-4-ylmethyl)oxan-3-yl]methanamine?
[3-(1,3-thiazol-4-ylmethyl)oxan-3-yl]methanamine has a molecular weight of 212.32 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-thiazol-4-ylmethyl)oxan-3-yl]methanamine is sourced from PubChem (CID 63010290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).