(E)-3-phenyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide

C15H11N3OS2 — CID 879449

IUPAC(E)-3-phenyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1nnc(-c2cccs2)s1
InChIInChI=1S/C15H11N3OS2/c19-13(9-8-11-5-2-1-3-6-11)16-15-18-17-14(21-15)12-7-4-10-20-12/h1-10H,(H,16,18,19)/b9-8+
InChIKeyVTBJBUDHFIKBKY-CMDGGOBGSA-N
MW313.41 g/mol
LogP3.92
Rot. Bonds4

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

(E)-3-phenyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide (PubChem CID 879449) has the molecular formula C15H11N3OS2 and a molecular weight of 313.41 g/mol. Its IUPAC name is (E)-3-phenyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-phenyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide
PubChem CID879449
Molecular FormulaC15H11N3OS2
Molecular Weight313.41 g/mol
Exact Mass313.03
IUPAC Name(E)-3-phenyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1nnc(-c2cccs2)s1
InChIInChI=1S/C15H11N3OS2/c19-13(9-8-11-5-2-1-3-6-11)16-15-18-17-14(21-15)12-7-4-10-20-12/h1-10H,(H,16,18,19)/b9-8+
InChIKeyVTBJBUDHFIKBKY-CMDGGOBGSA-N
XLogP3.92
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 53.92
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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Related Compounds

(E)-3-(4-fluorophenyl)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 108766370
methyl 4-[(E)-3-oxo-3-[(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)amino]prop-1-enyl]benzoate
CID 108744000
(E)-3-(3,4-dichlorophenyl)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 108766372
(E)-3-phenyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 744044
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide
CID 4032813
N-[5-(2-anilinoethylamino)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
CID 509844
(E)-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide;hydrochloride
CID 175653157
3-phenyl-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 732155
(E)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide
CID 6163871
N-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
CID 510289
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 1080987
N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
CID 921255

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-phenyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide (CID 879449) is (E)-3-phenyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-phenyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-phenyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide is O=C(/C=C/c1ccccc1)Nc1nnc(-c2cccs2)s1.
What is the InChIKey of (E)-3-phenyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide?
The InChIKey is VTBJBUDHFIKBKY-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H11N3OS2/c19-13(9-8-11-5-2-1-3-6-11)16-15-18-17-14(21-15)12-7-4-10-20-12/h1-10H,(H,16,18,19)/b9-8+.
What are the key properties of (E)-3-phenyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide?
(E)-3-phenyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide has a molecular weight of 313.41 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 879449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).