1-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-2-yltriazole-4-carboxamide

C19H16N6O2S — CID 71793941

IUPAC1-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-2-yltriazole-4-carboxamide
SMILESCOc1ccccc1-n1nnc(C(=O)Nc2nc(C)cs2)c1-c1ccccn1
InChIInChI=1S/C19H16N6O2S/c1-12-11-28-19(21-12)22-18(26)16-17(13-7-5-6-10-20-13)25(24-23-16)14-8-3-4-9-15(14)27-2/h3-11H,1-2H3,(H,21,22,26)
InChIKeyYJLVEHLCVQRMES-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.36
Rot. Bonds5

About 1-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-2-yltriazole-4-carboxamide

1-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-2-yltriazole-4-carboxamide (PubChem CID 71793941) has the molecular formula C19H16N6O2S and a molecular weight of 392.44 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-2-yltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-2-yltriazole-4-carboxamide
PubChem CID71793941
Molecular FormulaC19H16N6O2S
Molecular Weight392.44 g/mol
Exact Mass392.11
IUPAC Name1-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-2-yltriazole-4-carboxamide
SMILESCOc1ccccc1-n1nnc(C(=O)Nc2nc(C)cs2)c1-c1ccccn1
InChIInChI=1S/C19H16N6O2S/c1-12-11-28-19(21-12)22-18(26)16-17(13-7-5-6-10-20-13)25(24-23-16)14-8-3-4-9-15(14)27-2/h3-11H,1-2H3,(H,21,22,26)
InChIKeyYJLVEHLCVQRMES-UHFFFAOYSA-N
XLogP3.36
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-2-yltriazole-4-carboxamide?
The IUPAC name of 1-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-2-yltriazole-4-carboxamide (CID 71793941) is 1-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-2-yltriazole-4-carboxamide.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-2-yltriazole-4-carboxamide?
The canonical SMILES for 1-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-2-yltriazole-4-carboxamide is COc1ccccc1-n1nnc(C(=O)Nc2nc(C)cs2)c1-c1ccccn1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-2-yltriazole-4-carboxamide?
The InChIKey is YJLVEHLCVQRMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2S/c1-12-11-28-19(21-12)22-18(26)16-17(13-7-5-6-10-20-13)25(24-23-16)14-8-3-4-9-15(14)27-2/h3-11H,1-2H3,(H,21,22,26).
What are the key properties of 1-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-2-yltriazole-4-carboxamide?
1-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-2-yltriazole-4-carboxamide has a molecular weight of 392.44 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-2-yltriazole-4-carboxamide is sourced from PubChem (CID 71793941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).