4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)oxan-4-amine

C11H18N2OS — CID 61330120

IUPAC4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)oxan-4-amine
SMILESCCc1nc(C2(N)CCOCC2)sc1C
InChIInChI=1S/C11H18N2OS/c1-3-9-8(2)15-10(13-9)11(12)4-6-14-7-5-11/h3-7,12H2,1-2H3
InChIKeyAFTBLASFAZESGG-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.98
Rot. Bonds2

About 4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)oxan-4-amine

4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)oxan-4-amine (PubChem CID 61330120) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)oxan-4-amine.

Molecular Properties

Compound Name4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)oxan-4-amine
PubChem CID61330120
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)oxan-4-amine
SMILESCCc1nc(C2(N)CCOCC2)sc1C
InChIInChI=1S/C11H18N2OS/c1-3-9-8(2)15-10(13-9)11(12)4-6-14-7-5-11/h3-7,12H2,1-2H3
InChIKeyAFTBLASFAZESGG-UHFFFAOYSA-N
XLogP1.98
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)oxan-4-amine?
The IUPAC name of 4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)oxan-4-amine (CID 61330120) is 4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)oxan-4-amine.
What is the SMILES notation for 4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)oxan-4-amine?
The canonical SMILES for 4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)oxan-4-amine is CCc1nc(C2(N)CCOCC2)sc1C.
What is the InChIKey of 4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)oxan-4-amine?
The InChIKey is AFTBLASFAZESGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-3-9-8(2)15-10(13-9)11(12)4-6-14-7-5-11/h3-7,12H2,1-2H3.
What are the key properties of 4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)oxan-4-amine?
4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)oxan-4-amine has a molecular weight of 226.34 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-5-methyl-1,3-thiazol-2-yl)oxan-4-amine is sourced from PubChem (CID 61330120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).