2-ethyl-3-N-methyl-8-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide

C22H21N5O2S — CID 143717062

IUPAC2-ethyl-3-N-methyl-8-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide
SMILESCCc1nc2c(C(=O)NCc3csc(-c4ccccc4)n3)cccn2c1C(=O)NC
InChIInChI=1S/C22H21N5O2S/c1-3-17-18(21(29)23-2)27-11-7-10-16(19(27)26-17)20(28)24-12-15-13-30-22(25-15)14-8-5-4-6-9-14/h4-11,13H,3,12H2,1-2H3,(H,23,29)(H,24,28)
InChIKeyMAOIGHYXJYRENQ-UHFFFAOYSA-N
MW419.51 g/mol
LogP3.31
Rot. Bonds6

About 2-ethyl-3-N-methyl-8-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide

2-ethyl-3-N-methyl-8-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide (PubChem CID 143717062) has the molecular formula C22H21N5O2S and a molecular weight of 419.51 g/mol. Its IUPAC name is 2-ethyl-3-N-methyl-8-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide.

Molecular Properties

Compound Name2-ethyl-3-N-methyl-8-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide
PubChem CID143717062
Molecular FormulaC22H21N5O2S
Molecular Weight419.51 g/mol
Exact Mass419.14
IUPAC Name2-ethyl-3-N-methyl-8-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide
SMILESCCc1nc2c(C(=O)NCc3csc(-c4ccccc4)n3)cccn2c1C(=O)NC
InChIInChI=1S/C22H21N5O2S/c1-3-17-18(21(29)23-2)27-11-7-10-16(19(27)26-17)20(28)24-12-15-13-30-22(25-15)14-8-5-4-6-9-14/h4-11,13H,3,12H2,1-2H3,(H,23,29)(H,24,28)
InChIKeyMAOIGHYXJYRENQ-UHFFFAOYSA-N
XLogP3.31
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 24668930
2-ethyl-8-N-[[1-(4-methylsulfanylphenyl)pyrazol-3-yl]methyl]-3-N-propan-2-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
CID 143717171
1-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
CID 35534129
3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 75499926
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide
CID 2997523
N-ethyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 17398194
4-ethyl-2-phenyl-1,3-thiazole
CID 5324799
2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 35344742
2-hydroxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 162665630
4-chloro-3-ethyl-1-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrazole-5-carboxamide
CID 141476995
4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride
CID 118514483
ethane;4-ethyl-2-phenyl-1,3-thiazole
CID 91427044

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-N-methyl-8-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide?
The IUPAC name of 2-ethyl-3-N-methyl-8-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide (CID 143717062) is 2-ethyl-3-N-methyl-8-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide.
What is the SMILES notation for 2-ethyl-3-N-methyl-8-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide?
The canonical SMILES for 2-ethyl-3-N-methyl-8-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide is CCc1nc2c(C(=O)NCc3csc(-c4ccccc4)n3)cccn2c1C(=O)NC.
What is the InChIKey of 2-ethyl-3-N-methyl-8-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide?
The InChIKey is MAOIGHYXJYRENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2S/c1-3-17-18(21(29)23-2)27-11-7-10-16(19(27)26-17)20(28)24-12-15-13-30-22(25-15)14-8-5-4-6-9-14/h4-11,13H,3,12H2,1-2H3,(H,23,29)(H,24,28).
What are the key properties of 2-ethyl-3-N-methyl-8-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide?
2-ethyl-3-N-methyl-8-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide has a molecular weight of 419.51 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-N-methyl-8-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide is sourced from PubChem (CID 143717062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).