4-(2-methoxyphenyl)-6-methyl-N-(5-methylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl)pyridine-3-carboxamide

C20H20N4O4S2 — CID 176833592

IUPAC4-(2-methoxyphenyl)-6-methyl-N-(5-methylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl)pyridine-3-carboxamide
SMILESCOc1ccccc1-c1cc(C)ncc1C(=O)Nc1nc2c(s1)CN(S(C)(=O)=O)C2
InChIInChI=1S/C20H20N4O4S2/c1-12-8-14(13-6-4-5-7-17(13)28-2)15(9-21-12)19(25)23-20-22-16-10-24(30(3,26)27)11-18(16)29-20/h4-9H,10-11H2,1-3H3,(H,22,23,25)
InChIKeySWAFVAMRGKYMLU-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.05
Rot. Bonds5

About 4-(2-methoxyphenyl)-6-methyl-N-(5-methylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl)pyridine-3-carboxamide

4-(2-methoxyphenyl)-6-methyl-N-(5-methylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl)pyridine-3-carboxamide (PubChem CID 176833592) has the molecular formula C20H20N4O4S2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-6-methyl-N-(5-methylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-6-methyl-N-(5-methylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl)pyridine-3-carboxamide
PubChem CID176833592
Molecular FormulaC20H20N4O4S2
Molecular Weight444.54 g/mol
Exact Mass444.09
IUPAC Name4-(2-methoxyphenyl)-6-methyl-N-(5-methylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl)pyridine-3-carboxamide
SMILESCOc1ccccc1-c1cc(C)ncc1C(=O)Nc1nc2c(s1)CN(S(C)(=O)=O)C2
InChIInChI=1S/C20H20N4O4S2/c1-12-8-14(13-6-4-5-7-17(13)28-2)15(9-21-12)19(25)23-20-22-16-10-24(30(3,26)27)11-18(16)29-20/h4-9H,10-11H2,1-3H3,(H,22,23,25)
InChIKeySWAFVAMRGKYMLU-UHFFFAOYSA-N
XLogP3.05
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(2-methoxyphenyl)-6-methyl-N-(5-methylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(cyclobutanecarbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 176833998
N-[5-(1-acetylazetidine-2-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 176834293
4-(2-methoxyphenyl)-6-methyl-N-[5-(2-oxaspiro[3.3]heptane-6-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]pyridine-3-carboxamide
CID 176834091
N-[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 176832939
4-(5-cyano-2-methoxyphenyl)-N-(5-cyclopropylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 176833547
4-(5-cyano-2-methoxyphenyl)-N-[5-(cyclopentylsulfamoyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 176834401
4-(5-cyano-2-methoxyphenyl)-N-(5-cyclobutylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 176832862
4-(3-methoxy-4-pyridinyl)-6-methyl-N-[5-(pyridine-2-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]pyridine-3-carboxamide
CID 176833851
4-(5-cyano-2-methoxyphenyl)-6-methyl-N-[5-(3-methylcyclobutanecarbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]pyridine-3-carboxamide
CID 176834363
4-(5-cyano-2-methoxyphenyl)-6-methyl-N-[5-[(1R,2R)-2-methylcyclobutanecarbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]pyridine-3-carboxamide
CID 176833484
4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[3-(difluoromethoxy)pyridine-2-carbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 176832932
4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(5-methoxy-2-methylpyrimidine-4-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 176834352

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-6-methyl-N-(5-methylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 4-(2-methoxyphenyl)-6-methyl-N-(5-methylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl)pyridine-3-carboxamide (CID 176833592) is 4-(2-methoxyphenyl)-6-methyl-N-(5-methylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-(2-methoxyphenyl)-6-methyl-N-(5-methylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-(2-methoxyphenyl)-6-methyl-N-(5-methylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl)pyridine-3-carboxamide is COc1ccccc1-c1cc(C)ncc1C(=O)Nc1nc2c(s1)CN(S(C)(=O)=O)C2.
What is the InChIKey of 4-(2-methoxyphenyl)-6-methyl-N-(5-methylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is SWAFVAMRGKYMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S2/c1-12-8-14(13-6-4-5-7-17(13)28-2)15(9-21-12)19(25)23-20-22-16-10-24(30(3,26)27)11-18(16)29-20/h4-9H,10-11H2,1-3H3,(H,22,23,25).
What are the key properties of 4-(2-methoxyphenyl)-6-methyl-N-(5-methylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl)pyridine-3-carboxamide?
4-(2-methoxyphenyl)-6-methyl-N-(5-methylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-6-methyl-N-(5-methylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 176833592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).