(E)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(furan-2-yl)prop-2-enamide

C11H11N3O2S — CID 2146435

IUPAC(E)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(furan-2-yl)prop-2-enamide
SMILESCCc1nnc(NC(=O)/C=C/c2ccco2)s1
InChIInChI=1S/C11H11N3O2S/c1-2-10-13-14-11(17-10)12-9(15)6-5-8-4-3-7-16-8/h3-7H,2H2,1H3,(H,12,14,15)/b6-5+
InChIKeyLSBYIDOKZSKXHL-AATRIKPKSA-N
MW249.30 g/mol
LogP2.35
Rot. Bonds4

About (E)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(furan-2-yl)prop-2-enamide

(E)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(furan-2-yl)prop-2-enamide (PubChem CID 2146435) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is (E)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(furan-2-yl)prop-2-enamide
PubChem CID2146435
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name(E)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(furan-2-yl)prop-2-enamide
SMILESCCc1nnc(NC(=O)/C=C/c2ccco2)s1
InChIInChI=1S/C11H11N3O2S/c1-2-10-13-14-11(17-10)12-9(15)6-5-8-4-3-7-16-8/h3-7H,2H2,1H3,(H,12,14,15)/b6-5+
InChIKeyLSBYIDOKZSKXHL-AATRIKPKSA-N
XLogP2.35
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 (E)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(furan-2-yl)prop-2-enamide (CID 2146435) is (E)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(furan-2-yl)prop-2-enamide is CCc1nnc(NC(=O)/C=C/c2ccco2)s1.
What is the InChIKey of (E)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(furan-2-yl)prop-2-enamide?
The InChIKey is LSBYIDOKZSKXHL-AATRIKPKSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-2-10-13-14-11(17-10)12-9(15)6-5-8-4-3-7-16-8/h3-7H,2H2,1H3,(H,12,14,15)/b6-5+.
What are the key properties of (E)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(furan-2-yl)prop-2-enamide?
(E)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(furan-2-yl)prop-2-enamide has a molecular weight of 249.30 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 2146435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).