3-methyl-N-[[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]carbamoyl]benzamide

C19H16N4O2S — CID 24898477

IUPAC3-methyl-N-[[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]carbamoyl]benzamide
SMILESCc1cccc(C(=O)NC(=O)Nc2nnc(/C=C/c3ccccc3)s2)c1
InChIInChI=1S/C19H16N4O2S/c1-13-6-5-9-15(12-13)17(24)20-18(25)21-19-23-22-16(26-19)11-10-14-7-3-2-4-8-14/h2-12H,1H3,(H2,20,21,23,24,25)/b11-10+
InChIKeyCOUKVTSRSPEFLO-ZHACJKMWSA-N
MW364.43 g/mol
LogP3.98
Rot. Bonds4

About 3-methyl-N-[[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]carbamoyl]benzamide

3-methyl-N-[[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]carbamoyl]benzamide (PubChem CID 24898477) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 3-methyl-N-[[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]carbamoyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]carbamoyl]benzamide
PubChem CID24898477
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name3-methyl-N-[[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]carbamoyl]benzamide
SMILESCc1cccc(C(=O)NC(=O)Nc2nnc(/C=C/c3ccccc3)s2)c1
InChIInChI=1S/C19H16N4O2S/c1-13-6-5-9-15(12-13)17(24)20-18(25)21-19-23-22-16(26-19)11-10-14-7-3-2-4-8-14/h2-12H,1H3,(H2,20,21,23,24,25)/b11-10+
InChIKeyCOUKVTSRSPEFLO-ZHACJKMWSA-N
XLogP3.98
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-[[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]carbamoyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3695224
3,4-dichloro-N-[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 5289843
2-phenyl-N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 3770330
3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4191834
2-methylpropyl N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]carbamate
CID 3467248
3-methyl-N-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide
CID 45020577
3-methyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17319774
(E)-N-[5-[(3-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
CID 18864408
N-[5-[1-cyano-2-(3-methylphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 4054270
(E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3-diphenylprop-2-enamide
CID 890524
3-methyl-N-(5-phenyl-1,3-thiazol-2-yl)benzamide
CID 58033086
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
CID 16813777

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]carbamoyl]benzamide?
The IUPAC name of 3-methyl-N-[[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]carbamoyl]benzamide (CID 24898477) is 3-methyl-N-[[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]carbamoyl]benzamide.
What is the SMILES notation for 3-methyl-N-[[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]carbamoyl]benzamide?
The canonical SMILES for 3-methyl-N-[[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]carbamoyl]benzamide is Cc1cccc(C(=O)NC(=O)Nc2nnc(/C=C/c3ccccc3)s2)c1.
What is the InChIKey of 3-methyl-N-[[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]carbamoyl]benzamide?
The InChIKey is COUKVTSRSPEFLO-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-13-6-5-9-15(12-13)17(24)20-18(25)21-19-23-22-16(26-19)11-10-14-7-3-2-4-8-14/h2-12H,1H3,(H2,20,21,23,24,25)/b11-10+.
What are the key properties of 3-methyl-N-[[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]carbamoyl]benzamide?
3-methyl-N-[[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]carbamoyl]benzamide has a molecular weight of 364.43 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]carbamoyl]benzamide is sourced from PubChem (CID 24898477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).