[5-(aminomethyl)-2-methylfuran-3-yl]-(1,3-thiazol-2-yl)methanone

C10H10N2O2S — CID 67964674

IUPAC[5-(aminomethyl)-2-methylfuran-3-yl]-(1,3-thiazol-2-yl)methanone
SMILESCc1oc(CN)cc1C(=O)c1nccs1
InChIInChI=1S/C10H10N2O2S/c1-6-8(4-7(5-11)14-6)9(13)10-12-2-3-15-10/h2-4H,5,11H2,1H3
InChIKeyXAMUDSTXNRPACJ-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.73
Rot. Bonds3

About [5-(aminomethyl)-2-methylfuran-3-yl]-(1,3-thiazol-2-yl)methanone

[5-(aminomethyl)-2-methylfuran-3-yl]-(1,3-thiazol-2-yl)methanone (PubChem CID 67964674) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is [5-(aminomethyl)-2-methylfuran-3-yl]-(1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name[5-(aminomethyl)-2-methylfuran-3-yl]-(1,3-thiazol-2-yl)methanone
PubChem CID67964674
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name[5-(aminomethyl)-2-methylfuran-3-yl]-(1,3-thiazol-2-yl)methanone
SMILESCc1oc(CN)cc1C(=O)c1nccs1
InChIInChI=1S/C10H10N2O2S/c1-6-8(4-7(5-11)14-6)9(13)10-12-2-3-15-10/h2-4H,5,11H2,1H3
InChIKeyXAMUDSTXNRPACJ-UHFFFAOYSA-N
XLogP1.73
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)-2-methylfuran-3-yl]-(1,3-thiazol-2-yl)methanone?
The IUPAC name of [5-(aminomethyl)-2-methylfuran-3-yl]-(1,3-thiazol-2-yl)methanone (CID 67964674) is [5-(aminomethyl)-2-methylfuran-3-yl]-(1,3-thiazol-2-yl)methanone.
What is the SMILES notation for [5-(aminomethyl)-2-methylfuran-3-yl]-(1,3-thiazol-2-yl)methanone?
The canonical SMILES for [5-(aminomethyl)-2-methylfuran-3-yl]-(1,3-thiazol-2-yl)methanone is Cc1oc(CN)cc1C(=O)c1nccs1.
What is the InChIKey of [5-(aminomethyl)-2-methylfuran-3-yl]-(1,3-thiazol-2-yl)methanone?
The InChIKey is XAMUDSTXNRPACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-6-8(4-7(5-11)14-6)9(13)10-12-2-3-15-10/h2-4H,5,11H2,1H3.
What are the key properties of [5-(aminomethyl)-2-methylfuran-3-yl]-(1,3-thiazol-2-yl)methanone?
[5-(aminomethyl)-2-methylfuran-3-yl]-(1,3-thiazol-2-yl)methanone has a molecular weight of 222.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)-2-methylfuran-3-yl]-(1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 67964674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).