[3-(3-methoxy-1,2-thiazol-5-yl)furan-2-yl]methanamine

C9H10N2O2S — CID 126999962

IUPAC[3-(3-methoxy-1,2-thiazol-5-yl)furan-2-yl]methanamine
SMILESCOc1cc(-c2ccoc2CN)sn1
InChIInChI=1S/C9H10N2O2S/c1-12-9-4-8(14-11-9)6-2-3-13-7(6)5-10/h2-4H,5,10H2,1H3
InChIKeyBFYPCCWOZAMBLS-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.87
Rot. Bonds3

About [3-(3-methoxy-1,2-thiazol-5-yl)furan-2-yl]methanamine

[3-(3-methoxy-1,2-thiazol-5-yl)furan-2-yl]methanamine (PubChem CID 126999962) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is [3-(3-methoxy-1,2-thiazol-5-yl)furan-2-yl]methanamine.

Molecular Properties

Compound Name[3-(3-methoxy-1,2-thiazol-5-yl)furan-2-yl]methanamine
PubChem CID126999962
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name[3-(3-methoxy-1,2-thiazol-5-yl)furan-2-yl]methanamine
SMILESCOc1cc(-c2ccoc2CN)sn1
InChIInChI=1S/C9H10N2O2S/c1-12-9-4-8(14-11-9)6-2-3-13-7(6)5-10/h2-4H,5,10H2,1H3
InChIKeyBFYPCCWOZAMBLS-UHFFFAOYSA-N
XLogP1.87
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxy-1,2-thiazol-5-yl)furan-2-yl]methanamine?
The IUPAC name of [3-(3-methoxy-1,2-thiazol-5-yl)furan-2-yl]methanamine (CID 126999962) is [3-(3-methoxy-1,2-thiazol-5-yl)furan-2-yl]methanamine.
What is the SMILES notation for [3-(3-methoxy-1,2-thiazol-5-yl)furan-2-yl]methanamine?
The canonical SMILES for [3-(3-methoxy-1,2-thiazol-5-yl)furan-2-yl]methanamine is COc1cc(-c2ccoc2CN)sn1.
What is the InChIKey of [3-(3-methoxy-1,2-thiazol-5-yl)furan-2-yl]methanamine?
The InChIKey is BFYPCCWOZAMBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-12-9-4-8(14-11-9)6-2-3-13-7(6)5-10/h2-4H,5,10H2,1H3.
What are the key properties of [3-(3-methoxy-1,2-thiazol-5-yl)furan-2-yl]methanamine?
[3-(3-methoxy-1,2-thiazol-5-yl)furan-2-yl]methanamine has a molecular weight of 210.26 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxy-1,2-thiazol-5-yl)furan-2-yl]methanamine is sourced from PubChem (CID 126999962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).