1-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]propan-2-amine

C10H16N2OS — CID 115082089

IUPAC1-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]propan-2-amine
SMILESCC(N)Cc1coc(C2CCSC2)n1
InChIInChI=1S/C10H16N2OS/c1-7(11)4-9-5-13-10(12-9)8-2-3-14-6-8/h5,7-8H,2-4,6,11H2,1H3
InChIKeyKNBFLUQQXFUBNE-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.78
Rot. Bonds3

About 1-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]propan-2-amine

1-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]propan-2-amine (PubChem CID 115082089) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]propan-2-amine
PubChem CID115082089
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name1-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]propan-2-amine
SMILESCC(N)Cc1coc(C2CCSC2)n1
InChIInChI=1S/C10H16N2OS/c1-7(11)4-9-5-13-10(12-9)8-2-3-14-6-8/h5,7-8H,2-4,6,11H2,1H3
InChIKeyKNBFLUQQXFUBNE-UHFFFAOYSA-N
XLogP1.78
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]ethanol
CID 115082019
N-methyl-2-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]ethanamine
CID 115082088
1-[2-(thiolan-2-yl)-1,3-oxazol-4-yl]propan-2-amine
CID 115082832
[2-(thian-3-yl)-1,3-oxazol-4-yl]methanol
CID 115082592
[2-(thian-4-yl)-1,3-oxazol-4-yl]methanol
CID 115082133
3-[2-(thian-4-yl)-1,3-oxazol-4-yl]propan-1-amine
CID 115035817
1-[2-(thian-3-yl)-1,3-thiazol-4-yl]propan-2-amine
CID 115088298
N-methyl-3-[2-(thian-4-yl)-1,3-oxazol-4-yl]propan-1-amine
CID 115082248
1-[3-(thiolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115080972
N',N'-diethyl-1-[5-(thiolan-3-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 113435593
3-propyl-5-(thiolan-3-yl)-1,2,4-oxadiazole
CID 130693534
N-methyl-1-[2-(oxan-3-yl)-1,3-oxazol-4-yl]propan-2-amine
CID 115082682

Frequently Asked Questions

What is the IUPAC name of 1-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]propan-2-amine?
The IUPAC name of 1-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]propan-2-amine (CID 115082089) is 1-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]propan-2-amine is CC(N)Cc1coc(C2CCSC2)n1.
What is the InChIKey of 1-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]propan-2-amine?
The InChIKey is KNBFLUQQXFUBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-7(11)4-9-5-13-10(12-9)8-2-3-14-6-8/h5,7-8H,2-4,6,11H2,1H3.
What are the key properties of 1-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]propan-2-amine?
1-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]propan-2-amine has a molecular weight of 212.32 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]propan-2-amine is sourced from PubChem (CID 115082089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).