3-(furan-2-yl)-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]prop-2-enamide

C11H10N4O3S — CID 47172737

IUPAC3-(furan-2-yl)-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]prop-2-enamide
SMILESO=C(C=Cc1ccco1)NCC(=O)Nc1nncs1
InChIInChI=1S/C11H10N4O3S/c16-9(4-3-8-2-1-5-18-8)12-6-10(17)14-11-15-13-7-19-11/h1-5,7H,6H2,(H,12,16)(H,14,15,17)
InChIKeyRRRAWVBJRIZCNM-UHFFFAOYSA-N
MW278.29 g/mol
LogP0.90
Rot. Bonds5

About 3-(furan-2-yl)-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]prop-2-enamide

3-(furan-2-yl)-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]prop-2-enamide (PubChem CID 47172737) has the molecular formula C11H10N4O3S and a molecular weight of 278.29 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]prop-2-enamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]prop-2-enamide
PubChem CID47172737
Molecular FormulaC11H10N4O3S
Molecular Weight278.29 g/mol
Exact Mass278.05
IUPAC Name3-(furan-2-yl)-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]prop-2-enamide
SMILESO=C(C=Cc1ccco1)NCC(=O)Nc1nncs1
InChIInChI=1S/C11H10N4O3S/c16-9(4-3-8-2-1-5-18-8)12-6-10(17)14-11-15-13-7-19-11/h1-5,7H,6H2,(H,12,16)(H,14,15,17)
InChIKeyRRRAWVBJRIZCNM-UHFFFAOYSA-N
XLogP0.90
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]prop-2-enamide?
The IUPAC name of 3-(furan-2-yl)-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]prop-2-enamide (CID 47172737) is 3-(furan-2-yl)-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]prop-2-enamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]prop-2-enamide?
The canonical SMILES for 3-(furan-2-yl)-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]prop-2-enamide is O=C(C=Cc1ccco1)NCC(=O)Nc1nncs1.
What is the InChIKey of 3-(furan-2-yl)-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]prop-2-enamide?
The InChIKey is RRRAWVBJRIZCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3S/c16-9(4-3-8-2-1-5-18-8)12-6-10(17)14-11-15-13-7-19-11/h1-5,7H,6H2,(H,12,16)(H,14,15,17).
What are the key properties of 3-(furan-2-yl)-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]prop-2-enamide?
3-(furan-2-yl)-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]prop-2-enamide has a molecular weight of 278.29 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]prop-2-enamide is sourced from PubChem (CID 47172737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).