N-(2,5-dimethoxyphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide

C18H17N3O3S — CID 100748871

IUPACN-(2,5-dimethoxyphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2snnc2-c2ccc(C)cc2)c1
InChIInChI=1S/C18H17N3O3S/c1-11-4-6-12(7-5-11)16-17(25-21-20-16)18(22)19-14-10-13(23-2)8-9-15(14)24-3/h4-10H,1-3H3,(H,19,22)
InChIKeyDHRDBECJYGIDKS-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.78
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide

N-(2,5-dimethoxyphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide (PubChem CID 100748871) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide
PubChem CID100748871
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-(2,5-dimethoxyphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2snnc2-c2ccc(C)cc2)c1
InChIInChI=1S/C18H17N3O3S/c1-11-4-6-12(7-5-11)16-17(25-21-20-16)18(22)19-14-10-13(23-2)8-9-15(14)24-3/h4-10H,1-3H3,(H,19,22)
InChIKeyDHRDBECJYGIDKS-UHFFFAOYSA-N
XLogP3.78
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxy-5-methylphenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100747205
4-(4-methoxyphenyl)-N-(2,4,6-trimethylphenyl)thiadiazole-5-carboxamide
CID 100746505
N-(2-methoxyphenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100747133
methyl 2-[[4-(4-methylphenyl)thiadiazole-5-carbonyl]amino]benzoate
CID 100748907
N-(2,5-dimethoxyphenyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 84555059
N-(2-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 9045199
N-(2,5-dimethoxyphenyl)-3,5-dimethylbenzamide
CID 918722
4-(4-bromophenyl)-N-(3-chloro-4-methoxyphenyl)thiadiazole-5-carboxamide
CID 100750933
N-[4-[(5-chloro-2-methoxyphenyl)carbamothioylamino]phenyl]-4-phenylthiadiazole-5-carboxamide
CID 141023427
4-(4-methoxyphenyl)thiadiazole-5-carboxylic acid
CID 28948361
N-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)propanamide
CID 16876325
N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-methylbenzamide
CID 817326

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide (CID 100748871) is N-(2,5-dimethoxyphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide is COc1ccc(OC)c(NC(=O)c2snnc2-c2ccc(C)cc2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide?
The InChIKey is DHRDBECJYGIDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-11-4-6-12(7-5-11)16-17(25-21-20-16)18(22)19-14-10-13(23-2)8-9-15(14)24-3/h4-10H,1-3H3,(H,19,22).
What are the key properties of N-(2,5-dimethoxyphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide?
N-(2,5-dimethoxyphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 100748871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).