3,5-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide

C17H15N3OS — CID 27991309

IUPAC3,5-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1cc(C)cc(C(=O)Nc2nnc(-c3ccccc3)s2)c1
InChIInChI=1S/C17H15N3OS/c1-11-8-12(2)10-14(9-11)15(21)18-17-20-19-16(22-17)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,18,20,21)
InChIKeyXNHOWCJMLKPPQG-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.07
Rot. Bonds3

About 3,5-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide

3,5-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 27991309) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is 3,5-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID27991309
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC Name3,5-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1cc(C)cc(C(=O)Nc2nnc(-c3ccccc3)s2)c1
InChIInChI=1S/C17H15N3OS/c1-11-8-12(2)10-14(9-11)15(21)18-17-20-19-16(22-17)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,18,20,21)
InChIKeyXNHOWCJMLKPPQG-UHFFFAOYSA-N
XLogP4.07
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide
CID 45020577
3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4191834
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide
CID 18273975
N-[5-(3-aminophenyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
CID 82176812
N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 82176843
3,4-difluoro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 27991331
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
CID 16813777
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylbenzamide
CID 47148519
3,4-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 16813790
3-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1080950
6-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 27991303
4-bromo-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 55824791

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3,5-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide (CID 27991309) is 3,5-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3,5-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3,5-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide is Cc1cc(C)cc(C(=O)Nc2nnc(-c3ccccc3)s2)c1.
What is the InChIKey of 3,5-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is XNHOWCJMLKPPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c1-11-8-12(2)10-14(9-11)15(21)18-17-20-19-16(22-17)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,18,20,21).
What are the key properties of 3,5-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide?
3,5-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 309.39 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 27991309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).