1-[2-(thian-2-yl)-1,3-oxazol-4-yl]ethanamine

C10H16N2OS — CID 115082953

IUPAC1-[2-(thian-2-yl)-1,3-oxazol-4-yl]ethanamine
SMILESCC(N)c1coc(C2CCCCS2)n1
InChIInChI=1S/C10H16N2OS/c1-7(11)8-6-13-10(12-8)9-4-2-3-5-14-9/h6-7,9H,2-5,11H2,1H3
InChIKeyQBTFQBUSLLYITR-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.65
Rot. Bonds2

About 1-[2-(thian-2-yl)-1,3-oxazol-4-yl]ethanamine

1-[2-(thian-2-yl)-1,3-oxazol-4-yl]ethanamine (PubChem CID 115082953) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-[2-(thian-2-yl)-1,3-oxazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(thian-2-yl)-1,3-oxazol-4-yl]ethanamine
PubChem CID115082953
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name1-[2-(thian-2-yl)-1,3-oxazol-4-yl]ethanamine
SMILESCC(N)c1coc(C2CCCCS2)n1
InChIInChI=1S/C10H16N2OS/c1-7(11)8-6-13-10(12-8)9-4-2-3-5-14-9/h6-7,9H,2-5,11H2,1H3
InChIKeyQBTFQBUSLLYITR-UHFFFAOYSA-N
XLogP2.65
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(thian-2-yl)-1,3-oxazol-4-yl]ethanamine?
The IUPAC name of 1-[2-(thian-2-yl)-1,3-oxazol-4-yl]ethanamine (CID 115082953) is 1-[2-(thian-2-yl)-1,3-oxazol-4-yl]ethanamine.
What is the SMILES notation for 1-[2-(thian-2-yl)-1,3-oxazol-4-yl]ethanamine?
The canonical SMILES for 1-[2-(thian-2-yl)-1,3-oxazol-4-yl]ethanamine is CC(N)c1coc(C2CCCCS2)n1.
What is the InChIKey of 1-[2-(thian-2-yl)-1,3-oxazol-4-yl]ethanamine?
The InChIKey is QBTFQBUSLLYITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-7(11)8-6-13-10(12-8)9-4-2-3-5-14-9/h6-7,9H,2-5,11H2,1H3.
What are the key properties of 1-[2-(thian-2-yl)-1,3-oxazol-4-yl]ethanamine?
1-[2-(thian-2-yl)-1,3-oxazol-4-yl]ethanamine has a molecular weight of 212.32 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(thian-2-yl)-1,3-oxazol-4-yl]ethanamine is sourced from PubChem (CID 115082953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).