(Z)-4,4,4-trifluoro-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)but-2-enamide

C18H12F3N3OS — CID 134048067

IUPAC(Z)-4,4,4-trifluoro-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)but-2-enamide
SMILESO=C(/C=C(/c1ccccc1)C(F)(F)F)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C18H12F3N3OS/c19-18(20,21)14(12-7-3-1-4-8-12)11-15(25)22-17-24-23-16(26-17)13-9-5-2-6-10-13/h1-11H,(H,22,24,25)/b14-11-
InChIKeyWSLWJCLRQPJQRQ-KAMYIIQDSA-N
MW375.38 g/mol
LogP4.79
Rot. Bonds4

About (Z)-4,4,4-trifluoro-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)but-2-enamide

(Z)-4,4,4-trifluoro-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)but-2-enamide (PubChem CID 134048067) has the molecular formula C18H12F3N3OS and a molecular weight of 375.38 g/mol. Its IUPAC name is (Z)-4,4,4-trifluoro-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)but-2-enamide.

Molecular Properties

Compound Name(Z)-4,4,4-trifluoro-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)but-2-enamide
PubChem CID134048067
Molecular FormulaC18H12F3N3OS
Molecular Weight375.38 g/mol
Exact Mass375.07
IUPAC Name(Z)-4,4,4-trifluoro-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)but-2-enamide
SMILESO=C(/C=C(/c1ccccc1)C(F)(F)F)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C18H12F3N3OS/c19-18(20,21)14(12-7-3-1-4-8-12)11-15(25)22-17-24-23-16(26-17)13-9-5-2-6-10-13/h1-11H,(H,22,24,25)/b14-11-
InChIKeyWSLWJCLRQPJQRQ-KAMYIIQDSA-N
XLogP4.79
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 54.79
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

N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide
CID 18273975
N-[2-[[(E)-4,4,4-trifluoro-3-phenylbut-2-enoyl]amino]phenyl]benzamide
CID 56506611
N-[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide
CID 19256575
N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 82176843
(E)-3-(4-nitrophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 27991288
3,4-difluoro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 27991331
3-nitro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 90462721
3-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 12669831
3,5-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 27991309
(E)-3-phenyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 744044
(2R)-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 1451460
(2S)-2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 7092310

Frequently Asked Questions

What is the IUPAC name of (Z)-4,4,4-trifluoro-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)but-2-enamide?
The IUPAC name of (Z)-4,4,4-trifluoro-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)but-2-enamide (CID 134048067) is (Z)-4,4,4-trifluoro-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)but-2-enamide.
What is the SMILES notation for (Z)-4,4,4-trifluoro-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)but-2-enamide?
The canonical SMILES for (Z)-4,4,4-trifluoro-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)but-2-enamide is O=C(/C=C(/c1ccccc1)C(F)(F)F)Nc1nnc(-c2ccccc2)s1.
What is the InChIKey of (Z)-4,4,4-trifluoro-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)but-2-enamide?
The InChIKey is WSLWJCLRQPJQRQ-KAMYIIQDSA-N. The full InChI is InChI=1S/C18H12F3N3OS/c19-18(20,21)14(12-7-3-1-4-8-12)11-15(25)22-17-24-23-16(26-17)13-9-5-2-6-10-13/h1-11H,(H,22,24,25)/b14-11-.
What are the key properties of (Z)-4,4,4-trifluoro-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)but-2-enamide?
(Z)-4,4,4-trifluoro-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)but-2-enamide has a molecular weight of 375.38 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,4,4-trifluoro-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)but-2-enamide is sourced from PubChem (CID 134048067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).