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

C10H12N2OS — CID 62347401

IUPAC[2-(5-ethylfuran-2-yl)-1,3-thiazol-5-yl]methanamine
SMILESCCc1ccc(-c2ncc(CN)s2)o1
InChIInChI=1S/C10H12N2OS/c1-2-7-3-4-9(13-7)10-12-6-8(5-11)14-10/h3-4,6H,2,5,11H2,1H3
InChIKeyKLBSOTFYBXFUHW-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.42
Rot. Bonds3

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

[2-(5-ethylfuran-2-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 62347401) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is [2-(5-ethylfuran-2-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(5-ethylfuran-2-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID62347401
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name[2-(5-ethylfuran-2-yl)-1,3-thiazol-5-yl]methanamine
SMILESCCc1ccc(-c2ncc(CN)s2)o1
InChIInChI=1S/C10H12N2OS/c1-2-7-3-4-9(13-7)10-12-6-8(5-11)14-10/h3-4,6H,2,5,11H2,1H3
InChIKeyKLBSOTFYBXFUHW-UHFFFAOYSA-N
XLogP2.42
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(5-ethylfuran-2-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(5-ethylfuran-2-yl)-1,3-thiazol-5-yl]methanamine (CID 62347401) is [2-(5-ethylfuran-2-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(5-ethylfuran-2-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(5-ethylfuran-2-yl)-1,3-thiazol-5-yl]methanamine is CCc1ccc(-c2ncc(CN)s2)o1.
What is the InChIKey of [2-(5-ethylfuran-2-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is KLBSOTFYBXFUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-2-7-3-4-9(13-7)10-12-6-8(5-11)14-10/h3-4,6H,2,5,11H2,1H3.
What are the key properties of [2-(5-ethylfuran-2-yl)-1,3-thiazol-5-yl]methanamine?
[2-(5-ethylfuran-2-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 208.29 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-ethylfuran-2-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 62347401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).