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

C14H15N3OS — CID 7730583

IUPAC(E)-3-(4-ethylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
SMILESCCc1ccc(/C=C/C(=O)Nc2nnc(C)s2)cc1
InChIInChI=1S/C14H15N3OS/c1-3-11-4-6-12(7-5-11)8-9-13(18)15-14-17-16-10(2)19-14/h4-9H,3H2,1-2H3,(H,15,17,18)/b9-8+
InChIKeyIRYIWWANQBQCIB-CMDGGOBGSA-N
MW273.36 g/mol
LogP3.06
Rot. Bonds4

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

(E)-3-(4-ethylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide (PubChem CID 7730583) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is (E)-3-(4-ethylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-ethylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
PubChem CID7730583
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name(E)-3-(4-ethylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
SMILESCCc1ccc(/C=C/C(=O)Nc2nnc(C)s2)cc1
InChIInChI=1S/C14H15N3OS/c1-3-11-4-6-12(7-5-11)8-9-13(18)15-14-17-16-10(2)19-14/h4-9H,3H2,1-2H3,(H,15,17,18)/b9-8+
InChIKeyIRYIWWANQBQCIB-CMDGGOBGSA-N
XLogP3.06
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.06
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

4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 676913
(E)-3-(4-propan-2-ylphenyl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 898906
2,2-Dimethyl-N-(5-phenethyl-[1,3,4]thiadiazol-2-yl)-propionamide
CID 821488
3-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]but-2-enamide
CID 1451472
2-methyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 3254349
3,3-dimethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 3979946
N-{5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl}butanamide
CID 6290772
N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide;hydrochloride
CID 23724219
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide
CID 665668
2-ethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 1402671
N-{5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl}propanamide
CID 6148190
N-(5-benzyl-1,3,4-thiadiazol-2-yl)butanamide
CID 684148

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-ethylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(4-ethylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide (CID 7730583) is (E)-3-(4-ethylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-ethylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-ethylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide is CCc1ccc(/C=C/C(=O)Nc2nnc(C)s2)cc1.
What is the InChIKey of (E)-3-(4-ethylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide?
The InChIKey is IRYIWWANQBQCIB-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-3-11-4-6-12(7-5-11)8-9-13(18)15-14-17-16-10(2)19-14/h4-9H,3H2,1-2H3,(H,15,17,18)/b9-8+.
What are the key properties of (E)-3-(4-ethylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide?
(E)-3-(4-ethylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide has a molecular weight of 273.36 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-ethylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 7730583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).