3-[2-(oxan-2-yl)-1,3-thiazol-5-yl]propan-1-amine

C11H18N2OS — CID 115035808

IUPAC3-[2-(oxan-2-yl)-1,3-thiazol-5-yl]propan-1-amine
SMILESNCCCc1cnc(C2CCCCO2)s1
InChIInChI=1S/C11H18N2OS/c12-6-3-4-9-8-13-11(15-9)10-5-1-2-7-14-10/h8,10H,1-7,12H2
InChIKeyWQXIJLZZJSPQOZ-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.28
Rot. Bonds4

About 3-[2-(oxan-2-yl)-1,3-thiazol-5-yl]propan-1-amine

3-[2-(oxan-2-yl)-1,3-thiazol-5-yl]propan-1-amine (PubChem CID 115035808) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 3-[2-(oxan-2-yl)-1,3-thiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(oxan-2-yl)-1,3-thiazol-5-yl]propan-1-amine
PubChem CID115035808
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name3-[2-(oxan-2-yl)-1,3-thiazol-5-yl]propan-1-amine
SMILESNCCCc1cnc(C2CCCCO2)s1
InChIInChI=1S/C11H18N2OS/c12-6-3-4-9-8-13-11(15-9)10-5-1-2-7-14-10/h8,10H,1-7,12H2
InChIKeyWQXIJLZZJSPQOZ-UHFFFAOYSA-N
XLogP2.28
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]ethanamine
CID 115021526
[3-methyl-1-[[2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine
CID 120781234
3-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]propan-1-amine
CID 115091025
2-[(2S)-oxolan-2-yl]-1,3-thiazole-5-carbaldehyde
CID 92669690
2-[2-(1-ethylpiperidin-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 115089977
2-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanamine
CID 65328335
3-[2-(thian-3-ylmethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 115091179
2-(oxan-2-yl)pyrimidin-5-amine
CID 126971971
3-[2-(1-methylcyclopentyl)-1,3-thiazol-5-yl]propan-1-amine
CID 115034761
N-[1-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 65328204
furan-3-ylmethyl 2-[(2R)-oxolan-2-yl]-1,3-thiazole-5-carboxylate
CID 97247375
[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methanamine
CID 64982766

Frequently Asked Questions

What is the IUPAC name of 3-[2-(oxan-2-yl)-1,3-thiazol-5-yl]propan-1-amine?
The IUPAC name of 3-[2-(oxan-2-yl)-1,3-thiazol-5-yl]propan-1-amine (CID 115035808) is 3-[2-(oxan-2-yl)-1,3-thiazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-[2-(oxan-2-yl)-1,3-thiazol-5-yl]propan-1-amine?
The canonical SMILES for 3-[2-(oxan-2-yl)-1,3-thiazol-5-yl]propan-1-amine is NCCCc1cnc(C2CCCCO2)s1.
What is the InChIKey of 3-[2-(oxan-2-yl)-1,3-thiazol-5-yl]propan-1-amine?
The InChIKey is WQXIJLZZJSPQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c12-6-3-4-9-8-13-11(15-9)10-5-1-2-7-14-10/h8,10H,1-7,12H2.
What are the key properties of 3-[2-(oxan-2-yl)-1,3-thiazol-5-yl]propan-1-amine?
3-[2-(oxan-2-yl)-1,3-thiazol-5-yl]propan-1-amine has a molecular weight of 226.34 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxan-2-yl)-1,3-thiazol-5-yl]propan-1-amine is sourced from PubChem (CID 115035808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).