N-(2-methoxy-5-methylphenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide

C18H17N3O3S — CID 100747205

IUPACN-(2-methoxy-5-methylphenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
SMILESCOc1cccc(-c2nnsc2C(=O)Nc2cc(C)ccc2OC)c1
InChIInChI=1S/C18H17N3O3S/c1-11-7-8-15(24-3)14(9-11)19-18(22)17-16(20-21-25-17)12-5-4-6-13(10-12)23-2/h4-10H,1-3H3,(H,19,22)
InChIKeyKQENPGJGEYIKSL-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.78
Rot. Bonds5

About N-(2-methoxy-5-methylphenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide

N-(2-methoxy-5-methylphenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide (PubChem CID 100747205) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
PubChem CID100747205
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-(2-methoxy-5-methylphenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
SMILESCOc1cccc(-c2nnsc2C(=O)Nc2cc(C)ccc2OC)c1
InChIInChI=1S/C18H17N3O3S/c1-11-7-8-15(24-3)14(9-11)19-18(22)17-16(20-21-25-17)12-5-4-6-13(10-12)23-2/h4-10H,1-3H3,(H,19,22)
InChIKeyKQENPGJGEYIKSL-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-methoxyphenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100747133
N-(2,5-dimethoxyphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100748871
N-(4-bromophenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100747027
N-ethyl-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100746623
4-(3-methoxyphenyl)thiadiazole-5-carboxylic acid
CID 66489722
4-(3-methoxyphenyl)-N-(3-methylsulfanylphenyl)thiadiazole-5-carboxamide
CID 100747220
N-(2-methoxy-5-methylphenyl)-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336407
1-benzyl-N-(2-methoxy-5-methylphenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide
CID 112772180
4-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide
CID 100746847
methyl 2-[[4-(4-methylphenyl)thiadiazole-5-carbonyl]amino]benzoate
CID 100748907
N-[4-[(5-chloro-2-methoxyphenyl)carbamothioylamino]phenyl]-4-phenylthiadiazole-5-carboxamide
CID 141023427
N-(2-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 9045199

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide (CID 100747205) is N-(2-methoxy-5-methylphenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide is COc1cccc(-c2nnsc2C(=O)Nc2cc(C)ccc2OC)c1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide?
The InChIKey is KQENPGJGEYIKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-11-7-8-15(24-3)14(9-11)19-18(22)17-16(20-21-25-17)12-5-4-6-13(10-12)23-2/h4-10H,1-3H3,(H,19,22).
What are the key properties of N-(2-methoxy-5-methylphenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide?
N-(2-methoxy-5-methylphenyl)-4-(3-methoxyphenyl)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-methoxy-5-methylphenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 100747205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).