3-propan-2-yloxy-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine

C11H20N2OS — CID 115706255

IUPAC3-propan-2-yloxy-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine
SMILESCC(C)OCCCNC(C)c1cncs1
InChIInChI=1S/C11H20N2OS/c1-9(2)14-6-4-5-13-10(3)11-7-12-8-15-11/h7-10,13H,4-6H2,1-3H3
InChIKeySSKWHWRIQBRUDV-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.61
Rot. Bonds7

About 3-propan-2-yloxy-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine

3-propan-2-yloxy-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine (PubChem CID 115706255) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 3-propan-2-yloxy-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-propan-2-yloxy-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine
PubChem CID115706255
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name3-propan-2-yloxy-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine
SMILESCC(C)OCCCNC(C)c1cncs1
InChIInChI=1S/C11H20N2OS/c1-9(2)14-6-4-5-13-10(3)11-7-12-8-15-11/h7-10,13H,4-6H2,1-3H3
InChIKeySSKWHWRIQBRUDV-UHFFFAOYSA-N
XLogP2.61
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.61
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

3-phenoxy-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115707940
3-propan-2-yloxy-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
CID 62758491
5,5,5-trifluoro-N-[1-(1,3-thiazol-5-yl)ethyl]pentan-1-amine
CID 115895753
N-(2-methylsulfanylethyl)-1-(1,3-thiazol-5-yl)ethanamine
CID 115706170
1-methoxy-4-[1-(1,3-thiazol-5-yl)ethylamino]butan-2-ol
CID 115897202
N-[1-(1,3-thiazol-5-yl)ethyl]-3-thiophen-2-ylpropan-1-amine
CID 115897434
3-propan-2-yloxy-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 43108754
N-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]methanesulfonamide
CID 115713369
2-methylsulfanyl-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115895637
N-methyl-3-[1-(1,3-thiazol-5-yl)ethylamino]propanamide
CID 115712697
N'-cyclohexyl-N'-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]propane-1,3-diamine
CID 115708161
N-[2-(2-methoxyphenyl)ethyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 103775879

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of 3-propan-2-yloxy-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine (CID 115706255) is 3-propan-2-yloxy-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-propan-2-yloxy-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-propan-2-yloxy-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine is CC(C)OCCCNC(C)c1cncs1.
What is the InChIKey of 3-propan-2-yloxy-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine?
The InChIKey is SSKWHWRIQBRUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-9(2)14-6-4-5-13-10(3)11-7-12-8-15-11/h7-10,13H,4-6H2,1-3H3.
What are the key properties of 3-propan-2-yloxy-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine?
3-propan-2-yloxy-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine has a molecular weight of 228.36 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 115706255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).