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

C19H17N3OS2 — CID 19212139

IUPAC(E)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2,3-diphenylprop-2-enamide
SMILESCCSc1nnc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)s1
InChIInChI=1S/C19H17N3OS2/c1-2-24-19-22-21-18(25-19)20-17(23)16(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-13H,2H2,1H3,(H,20,21,23)/b16-13+
InChIKeyXFQFQTPRPPGZKV-DTQAZKPQSA-N
MW367.50 g/mol
LogP4.83
Rot. Bonds6

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

(E)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2,3-diphenylprop-2-enamide (PubChem CID 19212139) has the molecular formula C19H17N3OS2 and a molecular weight of 367.50 g/mol. Its IUPAC name is (E)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2,3-diphenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2,3-diphenylprop-2-enamide
PubChem CID19212139
Molecular FormulaC19H17N3OS2
Molecular Weight367.50 g/mol
Exact Mass367.08
IUPAC Name(E)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2,3-diphenylprop-2-enamide
SMILESCCSc1nnc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)s1
InChIInChI=1S/C19H17N3OS2/c1-2-24-19-22-21-18(25-19)20-17(23)16(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-13H,2H2,1H3,(H,20,21,23)/b16-13+
InChIKeyXFQFQTPRPPGZKV-DTQAZKPQSA-N
XLogP4.83
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3-diphenylprop-2-enamide
CID 890524
1-N,2-N-bis(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzene-1,2-dicarboxamide
CID 3636543
(E)-N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-phenylprop-2-enamide
CID 19227273
(E)-3-(furan-2-yl)-2-phenyl-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 100748287
(E)-2-cyano-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)prop-2-enamide
CID 19212547
N-[(2S,3S)-1-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 8927054
2-ethoxy-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 872228
2-benzhydryloxy-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 39910044
4-(2-oxo-2-phenylacetyl)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 19226665
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanone
CID 84602735
(2R)-2-benzylsulfanyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide
CID 100504993
(2R)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenoxybutanamide
CID 842074

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2,3-diphenylprop-2-enamide?
The IUPAC name of (E)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2,3-diphenylprop-2-enamide (CID 19212139) is (E)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2,3-diphenylprop-2-enamide.
What is the SMILES notation for (E)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2,3-diphenylprop-2-enamide?
The canonical SMILES for (E)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2,3-diphenylprop-2-enamide is CCSc1nnc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)s1.
What is the InChIKey of (E)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2,3-diphenylprop-2-enamide?
The InChIKey is XFQFQTPRPPGZKV-DTQAZKPQSA-N. The full InChI is InChI=1S/C19H17N3OS2/c1-2-24-19-22-21-18(25-19)20-17(23)16(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-13H,2H2,1H3,(H,20,21,23)/b16-13+.
What are the key properties of (E)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2,3-diphenylprop-2-enamide?
(E)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2,3-diphenylprop-2-enamide has a molecular weight of 367.50 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2,3-diphenylprop-2-enamide is sourced from PubChem (CID 19212139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).