(E)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide

C14H13N3OS — CID 6163871

IUPAC(E)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1nnc(C2CC2)s1
InChIInChI=1S/C14H13N3OS/c18-12(9-6-10-4-2-1-3-5-10)15-14-17-16-13(19-14)11-7-8-11/h1-6,9,11H,7-8H2,(H,15,17,18)/b9-6+
InChIKeyWLYJOPGRNGWJAX-RMKNXTFCSA-N
MW271.34 g/mol
LogP3.07
Rot. Bonds4

About (E)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide

(E)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide (PubChem CID 6163871) has the molecular formula C14H13N3OS and a molecular weight of 271.34 g/mol. Its IUPAC name is (E)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide
PubChem CID6163871
Molecular FormulaC14H13N3OS
Molecular Weight271.34 g/mol
Exact Mass271.08
IUPAC Name(E)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1nnc(C2CC2)s1
InChIInChI=1S/C14H13N3OS/c18-12(9-6-10-4-2-1-3-5-10)15-14-17-16-13(19-14)11-7-8-11/h1-6,9,11H,7-8H2,(H,15,17,18)/b9-6+
InChIKeyWLYJOPGRNGWJAX-RMKNXTFCSA-N
XLogP3.07
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)prop-2-enamide
CID 6214244
(E)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2-fluorophenyl)prop-2-enamide
CID 8502989
N-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
CID 510289
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(furan-2-yl)prop-2-enamide
CID 4812428
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)prop-2-enamide
CID 4812433
3-(3-chloro-4-methylphenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 74615544
(E)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2,3-dichlorophenyl)prop-2-enamide
CID 30279764
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)but-2-enamide
CID 4799650
(E)-N-[5-[1-(2-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
CID 17203479
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 4852771
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide
CID 4032813
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 4033609

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide (CID 6163871) is (E)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)Nc1nnc(C2CC2)s1.
What is the InChIKey of (E)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide?
The InChIKey is WLYJOPGRNGWJAX-RMKNXTFCSA-N. The full InChI is InChI=1S/C14H13N3OS/c18-12(9-6-10-4-2-1-3-5-10)15-14-17-16-13(19-14)11-7-8-11/h1-6,9,11H,7-8H2,(H,15,17,18)/b9-6+.
What are the key properties of (E)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide?
(E)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide has a molecular weight of 271.34 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide is sourced from PubChem (CID 6163871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).