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

C19H19N3OS — CID 3884704

IUPAC3,4-dimethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCc1ccc(C(=O)Nc2nnc(CCc3ccccc3)s2)cc1C
InChIInChI=1S/C19H19N3OS/c1-13-8-10-16(12-14(13)2)18(23)20-19-22-21-17(24-19)11-9-15-6-4-3-5-7-15/h3-8,10,12H,9,11H2,1-2H3,(H,20,22,23)
InChIKeyWPZDSKXEQWEKHA-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.19
Rot. Bonds5

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

3,4-dimethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 3884704) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 3,4-dimethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID3884704
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name3,4-dimethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCc1ccc(C(=O)Nc2nnc(CCc3ccccc3)s2)cc1C
InChIInChI=1S/C19H19N3OS/c1-13-8-10-16(12-14(13)2)18(23)20-19-22-21-17(24-19)11-9-15-6-4-3-5-7-15/h3-8,10,12H,9,11H2,1-2H3,(H,20,22,23)
InChIKeyWPZDSKXEQWEKHA-UHFFFAOYSA-N
XLogP4.19
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.19
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
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
[4-[(5-benzyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]carbamic acid
CID 68739824
(2R)-2-chloro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 28732473
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-chloro-3-iodobenzamide
CID 38903577
3,4-dimethyl-N-[5-[(2-prop-2-enylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 35213118
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3,4-dimethylbenzamide
CID 2885797
3-(5-benzamido-1,3,4-thiadiazol-2-yl)propanoic acid
CID 82058157
3,4-dimethyl-N-[5-[(2-methylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 22517472
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-phenylethoxy)benzamide
CID 54787314
N-[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3,4-dimethylbenzamide
CID 4108112
2-[(3,4-dimethylbenzoyl)amino]-4-(2-phenylethyl)benzoic acid
CID 67342308

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 3884704) is 3,4-dimethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide is Cc1ccc(C(=O)Nc2nnc(CCc3ccccc3)s2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is WPZDSKXEQWEKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-13-8-10-16(12-14(13)2)18(23)20-19-22-21-17(24-19)11-9-15-6-4-3-5-7-15/h3-8,10,12H,9,11H2,1-2H3,(H,20,22,23).
What are the key properties of 3,4-dimethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide?
3,4-dimethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 337.45 g/mol, XLogP of 4.19, 5 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-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 3884704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).