methyl 2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridine-7-carboxylate

C21H19N5O3S — CID 58163718

IUPACmethyl 2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridine-7-carboxylate
SMILESCNC(=O)c1ccc(Nc2nc(-c3c(C)nc4cc(C(=O)OC)ccn34)cs2)cc1
InChIInChI=1S/C21H19N5O3S/c1-12-18(26-9-8-14(20(28)29-3)10-17(26)23-12)16-11-30-21(25-16)24-15-6-4-13(5-7-15)19(27)22-2/h4-11H,1-3H3,(H,22,27)(H,24,25)
InChIKeyMCMFEWIMXPMVPH-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.66
Rot. Bonds5

About methyl 2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridine-7-carboxylate

methyl 2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridine-7-carboxylate (PubChem CID 58163718) has the molecular formula C21H19N5O3S and a molecular weight of 421.48 g/mol. Its IUPAC name is methyl 2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridine-7-carboxylate
PubChem CID58163718
Molecular FormulaC21H19N5O3S
Molecular Weight421.48 g/mol
Exact Mass421.12
IUPAC Namemethyl 2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridine-7-carboxylate
SMILESCNC(=O)c1ccc(Nc2nc(-c3c(C)nc4cc(C(=O)OC)ccn34)cs2)cc1
InChIInChI=1S/C21H19N5O3S/c1-12-18(26-9-8-14(20(28)29-3)10-17(26)23-12)16-11-30-21(25-16)24-15-6-4-13(5-7-15)19(27)22-2/h4-11H,1-3H3,(H,22,27)(H,24,25)
InChIKeyMCMFEWIMXPMVPH-UHFFFAOYSA-N
XLogP3.66
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 1117208
4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoate
CID 6968515
4-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide
CID 58163873
methyl 3-[2-[1-[4-(hydroxycarbamoyl)phenyl]cyclopropyl]-1,3-thiazol-4-yl]-2-methylimidazo[1,2-a]pyridine-7-carboxylate
CID 87514257
4-[[4-(7-cyano-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide;4-[[4-(7-cyano-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-(2-methylphenyl)benzamide;methyl 3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-2-methylimidazo[1,2-a]pyridine-7-carboxylate;methyl 2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridine-7-carboxylate;N-methyl-4-[[4-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-methylphenyl)-4-[[4-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-methylphenyl)-4-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-methyl-4-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide
CID 162253822
4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(4-iodophenyl)-1,3-thiazol-2-amine;hydrobromide
CID 122509674
5-[[4-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide
CID 58163706
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide
CID 46880291
4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 3128435
N-(4-amino-1-phenylpyrazol-3-yl)-4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide
CID 58163694
4-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine
CID 44603134
N-(4-bromophenyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine
CID 1186937

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridine-7-carboxylate?
The IUPAC name of methyl 2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridine-7-carboxylate (CID 58163718) is methyl 2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridine-7-carboxylate.
What is the SMILES notation for methyl 2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridine-7-carboxylate?
The canonical SMILES for methyl 2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridine-7-carboxylate is CNC(=O)c1ccc(Nc2nc(-c3c(C)nc4cc(C(=O)OC)ccn34)cs2)cc1.
What is the InChIKey of methyl 2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridine-7-carboxylate?
The InChIKey is MCMFEWIMXPMVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3S/c1-12-18(26-9-8-14(20(28)29-3)10-17(26)23-12)16-11-30-21(25-16)24-15-6-4-13(5-7-15)19(27)22-2/h4-11H,1-3H3,(H,22,27)(H,24,25).
What are the key properties of methyl 2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridine-7-carboxylate?
methyl 2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridine-7-carboxylate has a molecular weight of 421.48 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridine-7-carboxylate is sourced from PubChem (CID 58163718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).