4-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide

C16H14N4O2S — CID 100746847

IUPAC4-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide
SMILESCOc1cccc(-c2nnsc2C(=O)NCc2ccccn2)c1
InChIInChI=1S/C16H14N4O2S/c1-22-13-7-4-5-11(9-13)14-15(23-20-19-14)16(21)18-10-12-6-2-3-8-17-12/h2-9H,10H2,1H3,(H,18,21)
InChIKeyHVHVGMXNULIAER-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.54
Rot. Bonds5

About 4-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide

4-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide (PubChem CID 100746847) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide
PubChem CID100746847
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC Name4-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide
SMILESCOc1cccc(-c2nnsc2C(=O)NCc2ccccn2)c1
InChIInChI=1S/C16H14N4O2S/c1-22-13-7-4-5-11(9-13)14-15(23-20-19-14)16(21)18-10-12-6-2-3-8-17-12/h2-9H,10H2,1H3,(H,18,21)
InChIKeyHVHVGMXNULIAER-UHFFFAOYSA-N
XLogP2.54
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100746623
N-(2-methoxyphenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100747133
4-(3-methoxyphenyl)thiadiazole-5-carboxylic acid
CID 66489722
N-(4-bromophenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100747027
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide
CID 42755526
3-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 31100473
2-(3-methoxyphenyl)-6-methyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 42750059
N-[(3-chlorophenyl)methyl]-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
CID 45491902
4-(3-methoxyphenyl)-N-(3-methylsulfanylphenyl)thiadiazole-5-carboxamide
CID 100747220
6-(3-methoxyphenyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134803194
5-(3-methoxyphenyl)-N-[(2R)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]-1,2-oxazole-3-carboxamide
CID 93140787
3-(3-methoxyphenyl)-7-N-(pyridin-2-ylmethyl)-9H-fluorene-1,7-dicarboxamide
CID 160601958

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide (CID 100746847) is 4-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide is COc1cccc(-c2nnsc2C(=O)NCc2ccccn2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide?
The InChIKey is HVHVGMXNULIAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-22-13-7-4-5-11(9-13)14-15(23-20-19-14)16(21)18-10-12-6-2-3-8-17-12/h2-9H,10H2,1H3,(H,18,21).
What are the key properties of 4-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide?
4-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 100746847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).