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

C18H15N3OS — CID 890524

IUPAC(E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3-diphenylprop-2-enamide
SMILESCc1nnc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)s1
InChIInChI=1S/C18H15N3OS/c1-13-20-21-18(23-13)19-17(22)16(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-12H,1H3,(H,19,21,22)/b16-12+
InChIKeyWYTNJZWSMAUVDJ-FOWTUZBSSA-N
MW321.41 g/mol
LogP4.03
Rot. Bonds4

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

(E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3-diphenylprop-2-enamide (PubChem CID 890524) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is (E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3-diphenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3-diphenylprop-2-enamide
PubChem CID890524
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC Name(E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3-diphenylprop-2-enamide
SMILESCc1nnc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)s1
InChIInChI=1S/C18H15N3OS/c1-13-20-21-18(23-13)19-17(22)16(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-12H,1H3,(H,19,21,22)/b16-12+
InChIKeyWYTNJZWSMAUVDJ-FOWTUZBSSA-N
XLogP4.03
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2,3-diphenylprop-2-enamide
CID 19212139
N-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamothioyl]benzamide
CID 693358
(E)-N-(6-methyl-2-pyridinyl)-2,3-diphenylprop-2-enamide
CID 889937
(E)-N-(4-methoxy-1,3-benzothiazol-2-yl)-2,3-diphenylprop-2-enamide
CID 19212134
(E)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,3-diphenylprop-2-enamide
CID 6525557
2,3-diphenyl-N-pyrimidin-2-ylprop-2-enamide
CID 4121626
2-[2-[[(E)-2,3-diphenylprop-2-enoyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 102534467
N-(4-acetamidophenyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)oxamide
CID 9403203
(E)-N-(2,5-dimethylphenyl)-2,3-diphenylprop-2-enamide
CID 6512373
N-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-[(1S)-1-phenylethyl]oxamide
CID 9402765
(Z)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-diphenylprop-2-enamide
CID 108760126
(E)-N-(4-ethylphenyl)-2,3-diphenylprop-2-enamide
CID 6534390

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3-diphenylprop-2-enamide?
The IUPAC name of (E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3-diphenylprop-2-enamide (CID 890524) is (E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3-diphenylprop-2-enamide.
What is the SMILES notation for (E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3-diphenylprop-2-enamide?
The canonical SMILES for (E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3-diphenylprop-2-enamide is Cc1nnc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)s1.
What is the InChIKey of (E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3-diphenylprop-2-enamide?
The InChIKey is WYTNJZWSMAUVDJ-FOWTUZBSSA-N. The full InChI is InChI=1S/C18H15N3OS/c1-13-20-21-18(23-13)19-17(22)16(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-12H,1H3,(H,19,21,22)/b16-12+.
What are the key properties of (E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3-diphenylprop-2-enamide?
(E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3-diphenylprop-2-enamide has a molecular weight of 321.41 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3-diphenylprop-2-enamide is sourced from PubChem (CID 890524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).