3-(oxolan-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine

C12H20N2OS — CID 65161041

IUPAC3-(oxolan-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCC(NCCCC1CCCO1)c1nccs1
InChIInChI=1S/C12H20N2OS/c1-10(12-14-7-9-16-12)13-6-2-4-11-5-3-8-15-11/h7,9-11,13H,2-6,8H2,1H3
InChIKeyKMXRYPKTGPQWCT-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.75
Rot. Bonds6

About 3-(oxolan-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine

3-(oxolan-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine (PubChem CID 65161041) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 3-(oxolan-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-(oxolan-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
PubChem CID65161041
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name3-(oxolan-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCC(NCCCC1CCCO1)c1nccs1
InChIInChI=1S/C12H20N2OS/c1-10(12-14-7-9-16-12)13-6-2-4-11-5-3-8-15-11/h7,9-11,13H,2-6,8H2,1H3
InChIKeyKMXRYPKTGPQWCT-UHFFFAOYSA-N
XLogP2.75
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-(2-methylphenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 81374337
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 81347586
5-(oxolan-2-yl)-N-propan-2-ylpentan-1-amine
CID 65166491
N-[1-(1-benzothiophen-3-yl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 68816836
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylethanamine
CID 81409134
3-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]cyclopentan-1-ol
CID 103271556
(2R)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine
CID 104868334
N-methyl-4-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)butan-2-amine
CID 105014941
N-[3-(oxolan-2-yl)propyl]-1-thiophen-2-ylbutan-1-amine
CID 65164005
N-[(1R)-1-cyclohexylethyl]-3-(oxolan-2-yl)propan-1-amine
CID 81385044
N-[2-(oxolan-2-yl)ethyl]-1-pyridin-2-ylethanamine
CID 61039958
N-[2-(oxolan-2-yl)ethyl]-1-thiophen-3-ylethanamine
CID 62089839

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of 3-(oxolan-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine (CID 65161041) is 3-(oxolan-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-(oxolan-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-(oxolan-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine is CC(NCCCC1CCCO1)c1nccs1.
What is the InChIKey of 3-(oxolan-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
The InChIKey is KMXRYPKTGPQWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-10(12-14-7-9-16-12)13-6-2-4-11-5-3-8-15-11/h7,9-11,13H,2-6,8H2,1H3.
What are the key properties of 3-(oxolan-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
3-(oxolan-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine has a molecular weight of 240.37 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 65161041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).