N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylquinoline-4-carboxamide

C22H19N3O3S — CID 2102481

IUPACN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylquinoline-4-carboxamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)c3cc(C)nc4ccccc34)n2)c1
InChIInChI=1S/C22H19N3O3S/c1-13-10-16(15-6-4-5-7-18(15)23-13)21(26)25-22-24-19(12-29-22)17-11-14(27-2)8-9-20(17)28-3/h4-12H,1-3H3,(H,24,25,26)
InChIKeyYGJFFHOKUQVIMU-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.94
Rot. Bonds5

About N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylquinoline-4-carboxamide

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylquinoline-4-carboxamide (PubChem CID 2102481) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylquinoline-4-carboxamide
PubChem CID2102481
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylquinoline-4-carboxamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)c3cc(C)nc4ccccc34)n2)c1
InChIInChI=1S/C22H19N3O3S/c1-13-10-16(15-6-4-5-7-18(15)23-13)21(26)25-22-24-19(12-29-22)17-11-14(27-2)8-9-20(17)28-3/h4-12H,1-3H3,(H,24,25,26)
InChIKeyYGJFFHOKUQVIMU-UHFFFAOYSA-N
XLogP4.94
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylquinoline-4-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-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]quinoline-5-carboxamide
CID 24594548
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55754430
2-N,6-N-bis[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide
CID 3422188
2-methyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 18291417
2-methyl-N-(4-methyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2085562
2,4-dimethoxy-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 39219203
2,3-dichloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 26242208
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-ethylsulfonylbenzamide
CID 41028434
N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-methylquinoline-4-carboxamide
CID 39804997
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 8873073
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide
CID 7924940
2-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4,5-difluorobenzamide
CID 2114849

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylquinoline-4-carboxamide?
The IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylquinoline-4-carboxamide (CID 2102481) is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylquinoline-4-carboxamide is COc1ccc(OC)c(-c2csc(NC(=O)c3cc(C)nc4ccccc34)n2)c1.
What is the InChIKey of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylquinoline-4-carboxamide?
The InChIKey is YGJFFHOKUQVIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-13-10-16(15-6-4-5-7-18(15)23-13)21(26)25-22-24-19(12-29-22)17-11-14(27-2)8-9-20(17)28-3/h4-12H,1-3H3,(H,24,25,26).
What are the key properties of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylquinoline-4-carboxamide?
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylquinoline-4-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 2102481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).