[2-(1,3-thiazol-2-ylmethyl)oxan-2-yl]methanamine

C10H16N2OS — CID 131054151

IUPAC[2-(1,3-thiazol-2-ylmethyl)oxan-2-yl]methanamine
SMILESNCC1(Cc2nccs2)CCCCO1
InChIInChI=1S/C10H16N2OS/c11-8-10(3-1-2-5-13-10)7-9-12-4-6-14-9/h4,6H,1-3,5,7-8,11H2
InChIKeyNLPXRBCXMAVAAN-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.58
Rot. Bonds3

About [2-(1,3-thiazol-2-ylmethyl)oxan-2-yl]methanamine

[2-(1,3-thiazol-2-ylmethyl)oxan-2-yl]methanamine (PubChem CID 131054151) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is [2-(1,3-thiazol-2-ylmethyl)oxan-2-yl]methanamine.

Molecular Properties

Compound Name[2-(1,3-thiazol-2-ylmethyl)oxan-2-yl]methanamine
PubChem CID131054151
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name[2-(1,3-thiazol-2-ylmethyl)oxan-2-yl]methanamine
SMILESNCC1(Cc2nccs2)CCCCO1
InChIInChI=1S/C10H16N2OS/c11-8-10(3-1-2-5-13-10)7-9-12-4-6-14-9/h4,6H,1-3,5,7-8,11H2
InChIKeyNLPXRBCXMAVAAN-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1,3-thiazol-2-ylmethyl)oxan-2-yl]methanamine?
The IUPAC name of [2-(1,3-thiazol-2-ylmethyl)oxan-2-yl]methanamine (CID 131054151) is [2-(1,3-thiazol-2-ylmethyl)oxan-2-yl]methanamine.
What is the SMILES notation for [2-(1,3-thiazol-2-ylmethyl)oxan-2-yl]methanamine?
The canonical SMILES for [2-(1,3-thiazol-2-ylmethyl)oxan-2-yl]methanamine is NCC1(Cc2nccs2)CCCCO1.
What is the InChIKey of [2-(1,3-thiazol-2-ylmethyl)oxan-2-yl]methanamine?
The InChIKey is NLPXRBCXMAVAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c11-8-10(3-1-2-5-13-10)7-9-12-4-6-14-9/h4,6H,1-3,5,7-8,11H2.
What are the key properties of [2-(1,3-thiazol-2-ylmethyl)oxan-2-yl]methanamine?
[2-(1,3-thiazol-2-ylmethyl)oxan-2-yl]methanamine has a molecular weight of 212.32 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-thiazol-2-ylmethyl)oxan-2-yl]methanamine is sourced from PubChem (CID 131054151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).