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

C18H17N3OS — CID 16813790

IUPAC3,4-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCc1ccc(-c2nnc(NC(=O)c3ccc(C)c(C)c3)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)13(3)10-15/h4-10H,1-3H3,(H,19,21,22)
InChIKeyOSULWCIANLMVBQ-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.38
Rot. Bonds3

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

3,4-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 16813790) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is 3,4-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID16813790
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name3,4-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCc1ccc(-c2nnc(NC(=O)c3ccc(C)c(C)c3)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)13(3)10-15/h4-10H,1-3H3,(H,19,21,22)
InChIKeyOSULWCIANLMVBQ-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

N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethylbenzamide
CID 2047594
2,4-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 100644344
N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2,1,3-benzothiadiazole-5-carboxamide
CID 35570127
1-(3,4-dimethylphenyl)-3-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]urea
CID 931488
4-methyl-N-[5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3621803
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
CID 16813777
3-[(3,4-dimethylphenyl)sulfamoyl]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide
CID 100560370
3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 100546774
3,5-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 27991309
4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 676913
3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4191834
4-fluoro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 741034

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 16813790) is 3,4-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide is Cc1ccc(-c2nnc(NC(=O)c3ccc(C)c(C)c3)s2)cc1.
What is the InChIKey of 3,4-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is OSULWCIANLMVBQ-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)13(3)10-15/h4-10H,1-3H3,(H,19,21,22).
What are the key properties of 3,4-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide?
3,4-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 3,4-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 16813790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).