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

C8H12N2OS — CID 130721975

IUPAC3-(1,2-thiazol-3-yl)oxan-3-amine
SMILESNC1(c2ccsn2)CCCOC1
InChIInChI=1S/C8H12N2OS/c9-8(3-1-4-11-6-8)7-2-5-12-10-7/h2,5H,1,3-4,6,9H2
InChIKeyCFOWRZCTBDXADV-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.11
Rot. Bonds1

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

3-(1,2-thiazol-3-yl)oxan-3-amine (PubChem CID 130721975) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 3-(1,2-thiazol-3-yl)oxan-3-amine.

Molecular Properties

Compound Name3-(1,2-thiazol-3-yl)oxan-3-amine
PubChem CID130721975
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name3-(1,2-thiazol-3-yl)oxan-3-amine
SMILESNC1(c2ccsn2)CCCOC1
InChIInChI=1S/C8H12N2OS/c9-8(3-1-4-11-6-8)7-2-5-12-10-7/h2,5H,1,3-4,6,9H2
InChIKeyCFOWRZCTBDXADV-UHFFFAOYSA-N
XLogP1.11
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Oxolan-2-yl(1,2-thiazol-3-yl)methanamine
CID 126985781
4-(1,2-Thiazol-3-yl)oxepan-4-amine
CID 127002573
(3-Methyloxan-4-yl)-(1,2-thiazol-3-yl)methanamine
CID 130604775
2-(Oxolan-3-yl)-1-(1,2-thiazol-3-yl)ethanamine
CID 130649338
3-(3-Methyl-1,2-thiazol-5-yl)oxan-3-amine
CID 130664346
Oxolan-3-yl(1,2-thiazol-3-yl)methanamine
CID 130664721
Oxan-2-yl(1,2-thiazol-3-yl)methanamine
CID 130665539
(3-Methoxyoxolan-3-yl)-(1,2-thiazol-3-yl)methanamine
CID 130802930
[Oxan-3-yl(1,2-thiazol-3-yl)methyl]hydrazine
CID 130848693
(2-Methyloxolan-2-yl)-(1,2-thiazol-3-yl)methanamine
CID 130956228
(2-Methyloxolan-3-yl)-(1,2-thiazol-3-yl)methanamine
CID 131182016
4-(1,2-Thiazol-3-yl)oxan-4-amine
CID 131214101

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-thiazol-3-yl)oxan-3-amine?
The IUPAC name of 3-(1,2-thiazol-3-yl)oxan-3-amine (CID 130721975) is 3-(1,2-thiazol-3-yl)oxan-3-amine.
What is the SMILES notation for 3-(1,2-thiazol-3-yl)oxan-3-amine?
The canonical SMILES for 3-(1,2-thiazol-3-yl)oxan-3-amine is NC1(c2ccsn2)CCCOC1.
What is the InChIKey of 3-(1,2-thiazol-3-yl)oxan-3-amine?
The InChIKey is CFOWRZCTBDXADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c9-8(3-1-4-11-6-8)7-2-5-12-10-7/h2,5H,1,3-4,6,9H2.
What are the key properties of 3-(1,2-thiazol-3-yl)oxan-3-amine?
3-(1,2-thiazol-3-yl)oxan-3-amine has a molecular weight of 184.26 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-thiazol-3-yl)oxan-3-amine is sourced from PubChem (CID 130721975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).