[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]furan-3-yl]methanamine

C12H16N2O2S — CID 62443614

IUPAC[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]furan-3-yl]methanamine
SMILESCc1ncsc1CCOCc1cc(CN)co1
InChIInChI=1S/C12H16N2O2S/c1-9-12(17-8-14-9)2-3-15-7-11-4-10(5-13)6-16-11/h4,6,8H,2-3,5,7,13H2,1H3
InChIKeyPXZWZBYQMPIMIC-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.26
Rot. Bonds6

About [5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]furan-3-yl]methanamine

[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]furan-3-yl]methanamine (PubChem CID 62443614) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is [5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]furan-3-yl]methanamine.

Molecular Properties

Compound Name[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]furan-3-yl]methanamine
PubChem CID62443614
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]furan-3-yl]methanamine
SMILESCc1ncsc1CCOCc1cc(CN)co1
InChIInChI=1S/C12H16N2O2S/c1-9-12(17-8-14-9)2-3-15-7-11-4-10(5-13)6-16-11/h4,6,8H,2-3,5,7,13H2,1H3
InChIKeyPXZWZBYQMPIMIC-UHFFFAOYSA-N
XLogP2.26
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.26
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-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]phenyl]methanamine
CID 43530969
N-methyl-1-[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]-1,2-oxazol-3-yl]methanamine
CID 62443797
4-methyl-5-[2-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexoxy]ethyl]-1,3-thiazole
CID 11474127
O-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 11228942
2,2-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butan-1-amine
CID 65248861
5-[2-[(6-chloropyridazin-3-yl)methoxy]ethyl]-4-methyl-1,3-thiazole
CID 104514129
3-bromo-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]aniline
CID 60790887
5-[2-[(6-chloro-2-pyridinyl)methoxy]ethyl]-4-methyl-1,3-thiazole
CID 79240432
3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propanenitrile
CID 24697504
4-ethoxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]aniline
CID 43260074
N-ethyl-2-[4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]phenyl]ethanamine
CID 105349386
4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]pyridine-2-carboximidamide
CID 63882610

Frequently Asked Questions

What is the IUPAC name of [5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]furan-3-yl]methanamine?
The IUPAC name of [5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]furan-3-yl]methanamine (CID 62443614) is [5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]furan-3-yl]methanamine.
What is the SMILES notation for [5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]furan-3-yl]methanamine?
The canonical SMILES for [5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]furan-3-yl]methanamine is Cc1ncsc1CCOCc1cc(CN)co1.
What is the InChIKey of [5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]furan-3-yl]methanamine?
The InChIKey is PXZWZBYQMPIMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-9-12(17-8-14-9)2-3-15-7-11-4-10(5-13)6-16-11/h4,6,8H,2-3,5,7,13H2,1H3.
What are the key properties of [5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]furan-3-yl]methanamine?
[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]furan-3-yl]methanamine has a molecular weight of 252.34 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]furan-3-yl]methanamine is sourced from PubChem (CID 62443614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).