2,4-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide

C18H17N3OS — CID 100644344

IUPAC2,4-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCc1ccc(-c2nnc(NC(=O)c3ccc(C)cc3C)s2)cc1
InChIInChI=1S/C18H17N3OS/c1-11-4-7-14(8-5-11)17-20-21-18(23-17)19-16(22)15-9-6-12(2)10-13(15)3/h4-10H,1-3H3,(H,19,21,22)
InChIKeyFKNNPWJPOUDLIU-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.38
Rot. Bonds3

About 2,4-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide

2,4-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 100644344) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is 2,4-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID100644344
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name2,4-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCc1ccc(-c2nnc(NC(=O)c3ccc(C)cc3C)s2)cc1
InChIInChI=1S/C18H17N3OS/c1-11-4-7-14(8-5-11)17-20-21-18(23-17)19-16(22)15-9-6-12(2)10-13(15)3/h4-10H,1-3H3,(H,19,21,22)
InChIKeyFKNNPWJPOUDLIU-UHFFFAOYSA-N
XLogP4.38
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 16813790
4-bromo-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 55824791
4-chloro-2-fluoro-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 100536122
2,4-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 78792564
2-bromo-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 23969392
4-methyl-N-[5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3621803
N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 82176851
N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2,1,3-benzothiadiazole-5-carboxamide
CID 35570127
2,4-dimethyl-N-(1,3-thiazol-2-yl)benzamide
CID 953286
1-(3,4-dimethylphenyl)-3-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]urea
CID 931488
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
CID 16813777
3,5-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 27991309

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 100644344) is 2,4-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide is Cc1ccc(-c2nnc(NC(=O)c3ccc(C)cc3C)s2)cc1.
What is the InChIKey of 2,4-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is FKNNPWJPOUDLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-11-4-7-14(8-5-11)17-20-21-18(23-17)19-16(22)15-9-6-12(2)10-13(15)3/h4-10H,1-3H3,(H,19,21,22).
What are the key properties of 2,4-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide?
2,4-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 323.42 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 100644344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).