N-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)thiadiazole-5-carboxamide

C18H17N3O2S — CID 100748562

IUPACN-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)thiadiazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2snnc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C18H17N3O2S/c1-12-3-7-14(8-4-12)16-17(24-21-20-16)18(22)19-11-13-5-9-15(23-2)10-6-13/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyFGBPPUVVDCHLQP-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.45
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)thiadiazole-5-carboxamide

N-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)thiadiazole-5-carboxamide (PubChem CID 100748562) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)thiadiazole-5-carboxamide
PubChem CID100748562
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)thiadiazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2snnc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C18H17N3O2S/c1-12-3-7-14(8-4-12)16-17(24-21-20-16)18(22)19-11-13-5-9-15(23-2)10-6-13/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyFGBPPUVVDCHLQP-UHFFFAOYSA-N
XLogP3.45
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]thiadiazole-5-carboxamide
CID 100748542
N-[(4-methoxyphenyl)methyl]-4-methylthiadiazole-5-carboxamide
CID 7576735
N-[(3-chlorophenyl)methyl]-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
CID 45491902
4-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]thiadiazole-5-carboxamide
CID 100747726
N-[2-(4-methoxyphenyl)ethyl]-4-phenylthiadiazole-5-carboxamide
CID 45495678
2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 142729709
4-(4-methoxyphenyl)-N-(2,4,6-trimethylphenyl)thiadiazole-5-carboxamide
CID 100746505
4-(4-methoxyphenyl)thiadiazole-5-carboxylic acid
CID 28948361
N-(2,5-dimethoxyphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100748871
N-cyclopropyl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
CID 45495603
4-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide
CID 51718226
N-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
CID 99794688

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)thiadiazole-5-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)thiadiazole-5-carboxamide (CID 100748562) is N-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)thiadiazole-5-carboxamide is COc1ccc(CNC(=O)c2snnc2-c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)thiadiazole-5-carboxamide?
The InChIKey is FGBPPUVVDCHLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-12-3-7-14(8-4-12)16-17(24-21-20-16)18(22)19-11-13-5-9-15(23-2)10-6-13/h3-10H,11H2,1-2H3,(H,19,22).
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)thiadiazole-5-carboxamide?
N-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)thiadiazole-5-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 100748562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).