2-benzoyl-N-[5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-yl]benzamide

C25H21N3O2S — CID 4080809

IUPAC2-benzoyl-N-[5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCc1cc(C)c(-c2nnc(NC(=O)c3ccccc3C(=O)c3ccccc3)s2)c(C)c1
InChIInChI=1S/C25H21N3O2S/c1-15-13-16(2)21(17(3)14-15)24-27-28-25(31-24)26-23(30)20-12-8-7-11-19(20)22(29)18-9-5-4-6-10-18/h4-14H,1-3H3,(H,26,28,30)
InChIKeyHPWHUOFPRBICOH-UHFFFAOYSA-N
MW427.53 g/mol
LogP5.61
Rot. Bonds5

About 2-benzoyl-N-[5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-yl]benzamide

2-benzoyl-N-[5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 4080809) has the molecular formula C25H21N3O2S and a molecular weight of 427.53 g/mol. Its IUPAC name is 2-benzoyl-N-[5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-benzoyl-N-[5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID4080809
Molecular FormulaC25H21N3O2S
Molecular Weight427.53 g/mol
Exact Mass427.14
IUPAC Name2-benzoyl-N-[5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCc1cc(C)c(-c2nnc(NC(=O)c3ccccc3C(=O)c3ccccc3)s2)c(C)c1
InChIInChI=1S/C25H21N3O2S/c1-15-13-16(2)21(17(3)14-15)24-27-28-25(31-24)26-23(30)20-12-8-7-11-19(20)22(29)18-9-5-4-6-10-18/h4-14H,1-3H3,(H,26,28,30)
InChIKeyHPWHUOFPRBICOH-UHFFFAOYSA-N
XLogP5.61
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.53
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-benzoyl-N-[5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-yl]benzamide with MolForge

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Related Compounds

4-methyl-N-[5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3621803
2-benzoyl-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 47799641
4-tert-butyl-N-[5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3558072
2-benzoyl-N-(2,4-dimethylphenyl)benzamide
CID 16624399
3,5-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 27991309
2-bromo-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 23969392
2,4-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 100644344
2-bromo-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4191838
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylbenzamide
CID 7193003
4-bromo-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 55824791
N-[5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-(4-methylbenzoyl)benzamide
CID 20994654
N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 82176851

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-N-[5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2-benzoyl-N-[5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 4080809) is 2-benzoyl-N-[5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2-benzoyl-N-[5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2-benzoyl-N-[5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-yl]benzamide is Cc1cc(C)c(-c2nnc(NC(=O)c3ccccc3C(=O)c3ccccc3)s2)c(C)c1.
What is the InChIKey of 2-benzoyl-N-[5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is HPWHUOFPRBICOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2S/c1-15-13-16(2)21(17(3)14-15)24-27-28-25(31-24)26-23(30)20-12-8-7-11-19(20)22(29)18-9-5-4-6-10-18/h4-14H,1-3H3,(H,26,28,30).
What are the key properties of 2-benzoyl-N-[5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-yl]benzamide?
2-benzoyl-N-[5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 427.53 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-N-[5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 4080809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).