oxan-3-yl(1,3-thiazol-2-yl)methanamine

C9H14N2OS — CID 63742197

IUPACoxan-3-yl(1,3-thiazol-2-yl)methanamine
SMILESNC(c1nccs1)C1CCCOC1
InChIInChI=1S/C9H14N2OS/c10-8(9-11-3-5-13-9)7-2-1-4-12-6-7/h3,5,7-8H,1-2,4,6,10H2
InChIKeyMVNOQSMCFUCBMS-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.57
Rot. Bonds2

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

oxan-3-yl(1,3-thiazol-2-yl)methanamine (PubChem CID 63742197) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is oxan-3-yl(1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Nameoxan-3-yl(1,3-thiazol-2-yl)methanamine
PubChem CID63742197
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Nameoxan-3-yl(1,3-thiazol-2-yl)methanamine
SMILESNC(c1nccs1)C1CCCOC1
InChIInChI=1S/C9H14N2OS/c10-8(9-11-3-5-13-9)7-2-1-4-12-6-7/h3,5,7-8H,1-2,4,6,10H2
InChIKeyMVNOQSMCFUCBMS-UHFFFAOYSA-N
XLogP1.57
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of oxan-3-yl(1,3-thiazol-2-yl)methanamine?
The IUPAC name of oxan-3-yl(1,3-thiazol-2-yl)methanamine (CID 63742197) is oxan-3-yl(1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for oxan-3-yl(1,3-thiazol-2-yl)methanamine?
The canonical SMILES for oxan-3-yl(1,3-thiazol-2-yl)methanamine is NC(c1nccs1)C1CCCOC1.
What is the InChIKey of oxan-3-yl(1,3-thiazol-2-yl)methanamine?
The InChIKey is MVNOQSMCFUCBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c10-8(9-11-3-5-13-9)7-2-1-4-12-6-7/h3,5,7-8H,1-2,4,6,10H2.
What are the key properties of oxan-3-yl(1,3-thiazol-2-yl)methanamine?
oxan-3-yl(1,3-thiazol-2-yl)methanamine has a molecular weight of 198.29 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-3-yl(1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 63742197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).