2-(oxolan-2-yl)-1-(1,2-thiazol-3-yl)ethanamine

C9H14N2OS — CID 127002582

IUPAC2-(oxolan-2-yl)-1-(1,2-thiazol-3-yl)ethanamine
SMILESNC(CC1CCCO1)c1ccsn1
InChIInChI=1S/C9H14N2OS/c10-8(9-3-5-13-11-9)6-7-2-1-4-12-7/h3,5,7-8H,1-2,4,6,10H2
InChIKeyXOENYBZYVGAMFR-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.71
Rot. Bonds3

About 2-(oxolan-2-yl)-1-(1,2-thiazol-3-yl)ethanamine

2-(oxolan-2-yl)-1-(1,2-thiazol-3-yl)ethanamine (PubChem CID 127002582) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-1-(1,2-thiazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(oxolan-2-yl)-1-(1,2-thiazol-3-yl)ethanamine
PubChem CID127002582
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-(oxolan-2-yl)-1-(1,2-thiazol-3-yl)ethanamine
SMILESNC(CC1CCCO1)c1ccsn1
InChIInChI=1S/C9H14N2OS/c10-8(9-3-5-13-11-9)6-7-2-1-4-12-7/h3,5,7-8H,1-2,4,6,10H2
InChIKeyXOENYBZYVGAMFR-UHFFFAOYSA-N
XLogP1.71
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxolan-3-yl)-1-(1,2-thiazol-3-yl)ethanamine
CID 130649338
1,3-bis(oxolan-2-yl)propan-2-amine
CID 62601237
2-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 65154946
1-(2,4-dimethylphenyl)-2-(oxolan-2-yl)ethanamine
CID 62800857
1-(4-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanamine
CID 62791351
1-(1-benzofuran-2-yl)-2-(oxolan-2-yl)ethanamine
CID 63090070
1-(5-methylthiophen-3-yl)-2-(oxolan-2-yl)ethanamine
CID 65104547
1-(oxolan-2-yl)-3-thiophen-3-ylpropan-2-amine
CID 62601063
2-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)ethanamine
CID 114686983
1-(oxolan-2-yl)-4-thiophen-2-ylbutan-2-amine
CID 63774614
(2R)-1-(oxolan-2-yl)propan-2-amine
CID 104932128
1-(5-bromo-2-methoxyphenyl)-2-(oxolan-2-yl)ethanamine
CID 65154803

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)-1-(1,2-thiazol-3-yl)ethanamine?
The IUPAC name of 2-(oxolan-2-yl)-1-(1,2-thiazol-3-yl)ethanamine (CID 127002582) is 2-(oxolan-2-yl)-1-(1,2-thiazol-3-yl)ethanamine.
What is the SMILES notation for 2-(oxolan-2-yl)-1-(1,2-thiazol-3-yl)ethanamine?
The canonical SMILES for 2-(oxolan-2-yl)-1-(1,2-thiazol-3-yl)ethanamine is NC(CC1CCCO1)c1ccsn1.
What is the InChIKey of 2-(oxolan-2-yl)-1-(1,2-thiazol-3-yl)ethanamine?
The InChIKey is XOENYBZYVGAMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c10-8(9-3-5-13-11-9)6-7-2-1-4-12-7/h3,5,7-8H,1-2,4,6,10H2.
What are the key properties of 2-(oxolan-2-yl)-1-(1,2-thiazol-3-yl)ethanamine?
2-(oxolan-2-yl)-1-(1,2-thiazol-3-yl)ethanamine has a molecular weight of 198.29 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-1-(1,2-thiazol-3-yl)ethanamine is sourced from PubChem (CID 127002582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).