3-(furan-2-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide

C10H8N2O2S — CID 839796

IUPAC3-(furan-2-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide
SMILESO=C(C=Cc1ccco1)Nc1nccs1
InChIInChI=1S/C10H8N2O2S/c13-9(12-10-11-5-7-15-10)4-3-8-2-1-6-14-8/h1-7H,(H,11,12,13)
InChIKeyFGMQMVDUTJGNGD-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.39
Rot. Bonds3

About 3-(furan-2-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide

3-(furan-2-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 839796) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide
PubChem CID839796
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name3-(furan-2-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide
SMILESO=C(C=Cc1ccco1)Nc1nccs1
InChIInChI=1S/C10H8N2O2S/c13-9(12-10-11-5-7-15-10)4-3-8-2-1-6-14-8/h1-7H,(H,11,12,13)
InChIKeyFGMQMVDUTJGNGD-UHFFFAOYSA-N
XLogP2.39
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of 3-(furan-2-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide (CID 839796) is 3-(furan-2-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for 3-(furan-2-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for 3-(furan-2-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide is O=C(C=Cc1ccco1)Nc1nccs1.
What is the InChIKey of 3-(furan-2-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is FGMQMVDUTJGNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c13-9(12-10-11-5-7-15-10)4-3-8-2-1-6-14-8/h1-7H,(H,11,12,13).
What are the key properties of 3-(furan-2-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
3-(furan-2-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 220.25 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 839796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).