(E)-3-(5-methylfuran-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide

C11H11N3O2S — CID 898939

IUPAC(E)-3-(5-methylfuran-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2nnc(C)s2)o1
InChIInChI=1S/C11H11N3O2S/c1-7-3-4-9(16-7)5-6-10(15)12-11-14-13-8(2)17-11/h3-6H,1-2H3,(H,12,14,15)/b6-5+
InChIKeyACVXRKPGXVRBGS-AATRIKPKSA-N
MW249.30 g/mol
LogP2.40
Rot. Bonds3

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

(E)-3-(5-methylfuran-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide (PubChem CID 898939) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is (E)-3-(5-methylfuran-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-methylfuran-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
PubChem CID898939
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name(E)-3-(5-methylfuran-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2nnc(C)s2)o1
InChIInChI=1S/C11H11N3O2S/c1-7-3-4-9(16-7)5-6-10(15)12-11-14-13-8(2)17-11/h3-6H,1-2H3,(H,12,14,15)/b6-5+
InChIKeyACVXRKPGXVRBGS-AATRIKPKSA-N
XLogP2.40
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 52.40
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)-3-(5-methylfuran-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(5-methylfuran-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide (CID 898939) is (E)-3-(5-methylfuran-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(5-methylfuran-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(5-methylfuran-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide is Cc1ccc(/C=C/C(=O)Nc2nnc(C)s2)o1.
What is the InChIKey of (E)-3-(5-methylfuran-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide?
The InChIKey is ACVXRKPGXVRBGS-AATRIKPKSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-7-3-4-9(16-7)5-6-10(15)12-11-14-13-8(2)17-11/h3-6H,1-2H3,(H,12,14,15)/b6-5+.
What are the key properties of (E)-3-(5-methylfuran-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide?
(E)-3-(5-methylfuran-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide has a molecular weight of 249.30 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-methylfuran-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 898939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).