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

C9H7N3O2S — CID 6018226

IUPAC(E)-3-(furan-2-yl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1nncs1
InChIInChI=1S/C9H7N3O2S/c13-8(11-9-12-10-6-15-9)4-3-7-2-1-5-14-7/h1-6H,(H,11,12,13)/b4-3+
InChIKeySMRFPOHSDLSOTA-ONEGZZNKSA-N
MW221.24 g/mol
LogP1.78
Rot. Bonds3

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

(E)-3-(furan-2-yl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide (PubChem CID 6018226) has the molecular formula C9H7N3O2S and a molecular weight of 221.24 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide
PubChem CID6018226
Molecular FormulaC9H7N3O2S
Molecular Weight221.24 g/mol
Exact Mass221.03
IUPAC Name(E)-3-(furan-2-yl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1nncs1
InChIInChI=1S/C9H7N3O2S/c13-8(11-9-12-10-6-15-9)4-3-7-2-1-5-14-7/h1-6H,(H,11,12,13)/b4-3+
InChIKeySMRFPOHSDLSOTA-ONEGZZNKSA-N
XLogP1.78
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.78
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-(1,3,4-thiadiazol-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide (CID 6018226) is (E)-3-(furan-2-yl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide is O=C(/C=C/c1ccco1)Nc1nncs1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide?
The InChIKey is SMRFPOHSDLSOTA-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H7N3O2S/c13-8(11-9-12-10-6-15-9)4-3-7-2-1-5-14-7/h1-6H,(H,11,12,13)/b4-3+.
What are the key properties of (E)-3-(furan-2-yl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide?
(E)-3-(furan-2-yl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide has a molecular weight of 221.24 g/mol, XLogP of 1.78, 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-(1,3,4-thiadiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 6018226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).