3-(3-methyl-1,2-thiazol-5-yl)oxan-3-amine

C9H14N2OS — CID 130664346

IUPAC3-(3-methyl-1,2-thiazol-5-yl)oxan-3-amine
SMILESCc1cc(C2(N)CCCOC2)sn1
InChIInChI=1S/C9H14N2OS/c1-7-5-8(13-11-7)9(10)3-2-4-12-6-9/h5H,2-4,6,10H2,1H3
InChIKeyLKLDLDLLIDKHNH-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.42
Rot. Bonds1

About 3-(3-methyl-1,2-thiazol-5-yl)oxan-3-amine

3-(3-methyl-1,2-thiazol-5-yl)oxan-3-amine (PubChem CID 130664346) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 3-(3-methyl-1,2-thiazol-5-yl)oxan-3-amine.

Molecular Properties

Compound Name3-(3-methyl-1,2-thiazol-5-yl)oxan-3-amine
PubChem CID130664346
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name3-(3-methyl-1,2-thiazol-5-yl)oxan-3-amine
SMILESCc1cc(C2(N)CCCOC2)sn1
InChIInChI=1S/C9H14N2OS/c1-7-5-8(13-11-7)9(10)3-2-4-12-6-9/h5H,2-4,6,10H2,1H3
InChIKeyLKLDLDLLIDKHNH-UHFFFAOYSA-N
XLogP1.42
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,2-thiazol-5-yl)oxan-3-amine?
The IUPAC name of 3-(3-methyl-1,2-thiazol-5-yl)oxan-3-amine (CID 130664346) is 3-(3-methyl-1,2-thiazol-5-yl)oxan-3-amine.
What is the SMILES notation for 3-(3-methyl-1,2-thiazol-5-yl)oxan-3-amine?
The canonical SMILES for 3-(3-methyl-1,2-thiazol-5-yl)oxan-3-amine is Cc1cc(C2(N)CCCOC2)sn1.
What is the InChIKey of 3-(3-methyl-1,2-thiazol-5-yl)oxan-3-amine?
The InChIKey is LKLDLDLLIDKHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-7-5-8(13-11-7)9(10)3-2-4-12-6-9/h5H,2-4,6,10H2,1H3.
What are the key properties of 3-(3-methyl-1,2-thiazol-5-yl)oxan-3-amine?
3-(3-methyl-1,2-thiazol-5-yl)oxan-3-amine has a molecular weight of 198.29 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1,2-thiazol-5-yl)oxan-3-amine is sourced from PubChem (CID 130664346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).