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

C8H12N2OS — CID 130664721

IUPACoxolan-3-yl(1,2-thiazol-3-yl)methanamine
SMILESNC(c1ccsn1)C1CCOC1
InChIInChI=1S/C8H12N2OS/c9-8(6-1-3-11-5-6)7-2-4-12-10-7/h2,4,6,8H,1,3,5,9H2
InChIKeyYAGYIAANUMMFCJ-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.18
Rot. Bonds2

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

oxolan-3-yl(1,2-thiazol-3-yl)methanamine (PubChem CID 130664721) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is oxolan-3-yl(1,2-thiazol-3-yl)methanamine.

Molecular Properties

Compound Nameoxolan-3-yl(1,2-thiazol-3-yl)methanamine
PubChem CID130664721
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Nameoxolan-3-yl(1,2-thiazol-3-yl)methanamine
SMILESNC(c1ccsn1)C1CCOC1
InChIInChI=1S/C8H12N2OS/c9-8(6-1-3-11-5-6)7-2-4-12-10-7/h2,4,6,8H,1,3,5,9H2
InChIKeyYAGYIAANUMMFCJ-UHFFFAOYSA-N
XLogP1.18
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl(1,2-thiazol-3-yl)methanamine?
The IUPAC name of oxolan-3-yl(1,2-thiazol-3-yl)methanamine (CID 130664721) is oxolan-3-yl(1,2-thiazol-3-yl)methanamine.
What is the SMILES notation for oxolan-3-yl(1,2-thiazol-3-yl)methanamine?
The canonical SMILES for oxolan-3-yl(1,2-thiazol-3-yl)methanamine is NC(c1ccsn1)C1CCOC1.
What is the InChIKey of oxolan-3-yl(1,2-thiazol-3-yl)methanamine?
The InChIKey is YAGYIAANUMMFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c9-8(6-1-3-11-5-6)7-2-4-12-10-7/h2,4,6,8H,1,3,5,9H2.
What are the key properties of oxolan-3-yl(1,2-thiazol-3-yl)methanamine?
oxolan-3-yl(1,2-thiazol-3-yl)methanamine has a molecular weight of 184.26 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl(1,2-thiazol-3-yl)methanamine is sourced from PubChem (CID 130664721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).