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

C15H15N3OS — CID 6214244

IUPAC(E)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2nnc(C3CC3)s2)cc1
InChIInChI=1S/C15H15N3OS/c1-10-2-4-11(5-3-10)6-9-13(19)16-15-18-17-14(20-15)12-7-8-12/h2-6,9,12H,7-8H2,1H3,(H,16,18,19)/b9-6+
InChIKeyOACHEGOIPKUXIH-RMKNXTFCSA-N
MW285.37 g/mol
LogP3.38
Rot. Bonds4

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

(E)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)prop-2-enamide (PubChem CID 6214244) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is (E)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)prop-2-enamide
PubChem CID6214244
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name(E)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2nnc(C3CC3)s2)cc1
InChIInChI=1S/C15H15N3OS/c1-10-2-4-11(5-3-10)6-9-13(19)16-15-18-17-14(20-15)12-7-8-12/h2-6,9,12H,7-8H2,1H3,(H,16,18,19)/b9-6+
InChIKeyOACHEGOIPKUXIH-RMKNXTFCSA-N
XLogP3.38
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.38
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-phenylprop-2-enamide
CID 6163871
(E)-3-(4-methylphenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
CID 19182067
3-(3-chloro-4-methylphenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 74615544
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)but-2-enamide
CID 4799650
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enamide
CID 4785259
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 4033609
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 4852771
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(furan-2-yl)prop-2-enamide
CID 4812428
(E)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2-fluorophenyl)prop-2-enamide
CID 8502989
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)prop-2-enamide
CID 4812433
(E)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)prop-2-enamide
CID 57403076
(E)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2,3-dichlorophenyl)prop-2-enamide
CID 30279764

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)prop-2-enamide (CID 6214244) is (E)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)prop-2-enamide is Cc1ccc(/C=C/C(=O)Nc2nnc(C3CC3)s2)cc1.
What is the InChIKey of (E)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)prop-2-enamide?
The InChIKey is OACHEGOIPKUXIH-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-10-2-4-11(5-3-10)6-9-13(19)16-15-18-17-14(20-15)12-7-8-12/h2-6,9,12H,7-8H2,1H3,(H,16,18,19)/b9-6+.
What are the key properties of (E)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)prop-2-enamide?
(E)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)prop-2-enamide has a molecular weight of 285.37 g/mol, XLogP of 3.38, 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-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 6214244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).