N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpyridine-2-carboxamide

C21H22N4O3S — CID 112797570

IUPACN-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpyridine-2-carboxamide
SMILESCOc1ccc(C)cc1-c1csc(NC(=O)c2cc(N3CCOCC3)ccn2)n1
InChIInChI=1S/C21H22N4O3S/c1-14-3-4-19(27-2)16(11-14)18-13-29-21(23-18)24-20(26)17-12-15(5-6-22-17)25-7-9-28-10-8-25/h3-6,11-13H,7-10H2,1-2H3,(H,23,24,26)
InChIKeyROJJEFRTGRWNST-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.61
Rot. Bonds5

About N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpyridine-2-carboxamide

N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpyridine-2-carboxamide (PubChem CID 112797570) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpyridine-2-carboxamide
PubChem CID112797570
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC NameN-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpyridine-2-carboxamide
SMILESCOc1ccc(C)cc1-c1csc(NC(=O)c2cc(N3CCOCC3)ccn2)n1
InChIInChI=1S/C21H22N4O3S/c1-14-3-4-19(27-2)16(11-14)18-13-29-21(23-18)24-20(26)17-12-15(5-6-22-17)25-7-9-28-10-8-25/h3-6,11-13H,7-10H2,1-2H3,(H,23,24,26)
InChIKeyROJJEFRTGRWNST-UHFFFAOYSA-N
XLogP3.61
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpyridine-2-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-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 112795091
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 91650779
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 17417503
methyl 4-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]benzoate
CID 26723703
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-2,4,5-trimethylfuran-3-carboxamide
CID 35889009
2-chloro-4-fluoro-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 26723626
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 8873073
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride
CID 119693768
5-(2-chlorophenyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-1,3-oxazole-4-carboxamide
CID 99811303
1-acetyl-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-2,3-dihydroindole-5-carboxamide
CID 36538459
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide
CID 7924940
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2,4,5-trimethoxybenzamide
CID 8838918

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpyridine-2-carboxamide?
The IUPAC name of N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpyridine-2-carboxamide (CID 112797570) is N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpyridine-2-carboxamide?
The canonical SMILES for N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpyridine-2-carboxamide is COc1ccc(C)cc1-c1csc(NC(=O)c2cc(N3CCOCC3)ccn2)n1.
What is the InChIKey of N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpyridine-2-carboxamide?
The InChIKey is ROJJEFRTGRWNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-14-3-4-19(27-2)16(11-14)18-13-29-21(23-18)24-20(26)17-12-15(5-6-22-17)25-7-9-28-10-8-25/h3-6,11-13H,7-10H2,1-2H3,(H,23,24,26).
What are the key properties of N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpyridine-2-carboxamide?
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpyridine-2-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 112797570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).