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

C10H9N3O2S — CID 896826

IUPAC(E)-3-(furan-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
SMILESCc1nnc(NC(=O)/C=C/c2ccco2)s1
InChIInChI=1S/C10H9N3O2S/c1-7-12-13-10(16-7)11-9(14)5-4-8-3-2-6-15-8/h2-6H,1H3,(H,11,13,14)/b5-4+
InChIKeyYQIVJJIGTNJLTB-SNAWJCMRSA-N
MW235.27 g/mol
LogP2.09
Rot. Bonds3

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

(E)-3-(furan-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide (PubChem CID 896826) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
PubChem CID896826
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name(E)-3-(furan-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
SMILESCc1nnc(NC(=O)/C=C/c2ccco2)s1
InChIInChI=1S/C10H9N3O2S/c1-7-12-13-10(16-7)11-9(14)5-4-8-3-2-6-15-8/h2-6H,1H3,(H,11,13,14)/b5-4+
InChIKeyYQIVJJIGTNJLTB-SNAWJCMRSA-N
XLogP2.09
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 52.09
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-(furan-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide (CID 896826) is (E)-3-(furan-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide is Cc1nnc(NC(=O)/C=C/c2ccco2)s1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide?
The InChIKey is YQIVJJIGTNJLTB-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H9N3O2S/c1-7-12-13-10(16-7)11-9(14)5-4-8-3-2-6-15-8/h2-6H,1H3,(H,11,13,14)/b5-4+.
What are the key properties of (E)-3-(furan-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide?
(E)-3-(furan-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide has a molecular weight of 235.27 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 896826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).