[4-(furan-2-ylmethoxymethyl)-1,3-thiazol-2-yl]methanamine

C10H12N2O2S — CID 62443694

IUPAC[4-(furan-2-ylmethoxymethyl)-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(COCc2ccco2)cs1
InChIInChI=1S/C10H12N2O2S/c11-4-10-12-8(7-15-10)5-13-6-9-2-1-3-14-9/h1-3,7H,4-6,11H2
InChIKeyRIRQBCOAJUSKQH-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.91
Rot. Bonds5

About [4-(furan-2-ylmethoxymethyl)-1,3-thiazol-2-yl]methanamine

[4-(furan-2-ylmethoxymethyl)-1,3-thiazol-2-yl]methanamine (PubChem CID 62443694) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is [4-(furan-2-ylmethoxymethyl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-(furan-2-ylmethoxymethyl)-1,3-thiazol-2-yl]methanamine
PubChem CID62443694
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name[4-(furan-2-ylmethoxymethyl)-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(COCc2ccco2)cs1
InChIInChI=1S/C10H12N2O2S/c11-4-10-12-8(7-15-10)5-13-6-9-2-1-3-14-9/h1-3,7H,4-6,11H2
InChIKeyRIRQBCOAJUSKQH-UHFFFAOYSA-N
XLogP1.91
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-ylmethoxymethyl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-(furan-2-ylmethoxymethyl)-1,3-thiazol-2-yl]methanamine (CID 62443694) is [4-(furan-2-ylmethoxymethyl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-(furan-2-ylmethoxymethyl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-(furan-2-ylmethoxymethyl)-1,3-thiazol-2-yl]methanamine is NCc1nc(COCc2ccco2)cs1.
What is the InChIKey of [4-(furan-2-ylmethoxymethyl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is RIRQBCOAJUSKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c11-4-10-12-8(7-15-10)5-13-6-9-2-1-3-14-9/h1-3,7H,4-6,11H2.
What are the key properties of [4-(furan-2-ylmethoxymethyl)-1,3-thiazol-2-yl]methanamine?
[4-(furan-2-ylmethoxymethyl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 224.28 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-ylmethoxymethyl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 62443694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).