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

C10H16N2OS — CID 115082832

IUPAC1-[2-(thiolan-2-yl)-1,3-oxazol-4-yl]propan-2-amine
SMILESCC(N)Cc1coc(C2CCCS2)n1
InChIInChI=1S/C10H16N2OS/c1-7(11)5-8-6-13-10(12-8)9-3-2-4-14-9/h6-7,9H,2-5,11H2,1H3
InChIKeyNDIXTTGGNAJALR-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.13
Rot. Bonds3

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

1-[2-(thiolan-2-yl)-1,3-oxazol-4-yl]propan-2-amine (PubChem CID 115082832) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-[2-(thiolan-2-yl)-1,3-oxazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(thiolan-2-yl)-1,3-oxazol-4-yl]propan-2-amine
PubChem CID115082832
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name1-[2-(thiolan-2-yl)-1,3-oxazol-4-yl]propan-2-amine
SMILESCC(N)Cc1coc(C2CCCS2)n1
InChIInChI=1S/C10H16N2OS/c1-7(11)5-8-6-13-10(12-8)9-3-2-4-14-9/h6-7,9H,2-5,11H2,1H3
InChIKeyNDIXTTGGNAJALR-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(thiolan-3-yl)-1,3-oxazol-4-yl]propan-2-amine
CID 115082089
1-[2-(thian-2-yl)-1,3-oxazol-4-yl]ethanamine
CID 115082953
N-methyl-1-[2-(thian-2-yl)-1,3-oxazol-4-yl]methanamine
CID 115082966
1-[2-(oxan-4-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine
CID 115088149
1-[5-(thian-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 80595566
[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 80620872
2-piperidin-4-yl-4-(thiolan-2-yl)-1,3-oxazole
CID 115042771
5-(1-chloroethyl)-3-(thiolan-2-yl)-1,2,4-oxadiazole
CID 80620869
2-amino-2-[5-(thian-2-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633479
2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 80620093
6-ethyl-2-(thiolan-2-yl)pyrimidin-4-amine
CID 80637213
1-[2-(thian-3-yl)-1,3-thiazol-4-yl]propan-2-amine
CID 115088298

Frequently Asked Questions

What is the IUPAC name of 1-[2-(thiolan-2-yl)-1,3-oxazol-4-yl]propan-2-amine?
The IUPAC name of 1-[2-(thiolan-2-yl)-1,3-oxazol-4-yl]propan-2-amine (CID 115082832) is 1-[2-(thiolan-2-yl)-1,3-oxazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[2-(thiolan-2-yl)-1,3-oxazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[2-(thiolan-2-yl)-1,3-oxazol-4-yl]propan-2-amine is CC(N)Cc1coc(C2CCCS2)n1.
What is the InChIKey of 1-[2-(thiolan-2-yl)-1,3-oxazol-4-yl]propan-2-amine?
The InChIKey is NDIXTTGGNAJALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-7(11)5-8-6-13-10(12-8)9-3-2-4-14-9/h6-7,9H,2-5,11H2,1H3.
What are the key properties of 1-[2-(thiolan-2-yl)-1,3-oxazol-4-yl]propan-2-amine?
1-[2-(thiolan-2-yl)-1,3-oxazol-4-yl]propan-2-amine has a molecular weight of 212.32 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(thiolan-2-yl)-1,3-oxazol-4-yl]propan-2-amine is sourced from PubChem (CID 115082832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).