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

C13H18N2O2S — CID 64993148

IUPAC3-(furan-2-ylmethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCC(NCCCOCc1ccco1)c1nccs1
InChIInChI=1S/C13H18N2O2S/c1-11(13-15-6-9-18-13)14-5-3-7-16-10-12-4-2-8-17-12/h2,4,6,8-9,11,14H,3,5,7,10H2,1H3
InChIKeyFISJQKQVEALKOR-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.99
Rot. Bonds8

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

3-(furan-2-ylmethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine (PubChem CID 64993148) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 3-(furan-2-ylmethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-(furan-2-ylmethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
PubChem CID64993148
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name3-(furan-2-ylmethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCC(NCCCOCc1ccco1)c1nccs1
InChIInChI=1S/C13H18N2O2S/c1-11(13-15-6-9-18-13)14-5-3-7-16-10-12-4-2-8-17-12/h2,4,6,8-9,11,14H,3,5,7,10H2,1H3
InChIKeyFISJQKQVEALKOR-UHFFFAOYSA-N
XLogP2.99
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(furan-2-ylmethoxy)-N-(1-pyridin-3-ylethyl)propan-1-amine
CID 43205758
N-[1-(4-bromophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine
CID 43205746
3-(furan-2-ylmethoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]propan-1-amine
CID 43110405
N-[3-(furan-2-ylmethoxy)propyl]-3-methoxybutan-2-amine
CID 115707867
5-(furan-2-ylmethoxy)-N-(2-methylpropyl)pentan-1-amine
CID 62445231
3-(furan-2-ylmethoxy)-N-[1-(1-methylcyclopropyl)ethyl]propan-1-amine
CID 43363264
N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine
CID 81296846
1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111398915
N-[1-(furan-2-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104585128
N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 46785149
1-(3-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]propan-1-amine
CID 43100874
3-ethoxy-N-[2-(furan-2-ylmethoxy)ethyl]propan-1-amine
CID 62565573

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of 3-(furan-2-ylmethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine (CID 64993148) is 3-(furan-2-ylmethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-(furan-2-ylmethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-(furan-2-ylmethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine is CC(NCCCOCc1ccco1)c1nccs1.
What is the InChIKey of 3-(furan-2-ylmethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
The InChIKey is FISJQKQVEALKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-11(13-15-6-9-18-13)14-5-3-7-16-10-12-4-2-8-17-12/h2,4,6,8-9,11,14H,3,5,7,10H2,1H3.
What are the key properties of 3-(furan-2-ylmethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
3-(furan-2-ylmethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine has a molecular weight of 266.37 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 64993148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).