methyl 4-[2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]benzoate

C20H16N4O3S — CID 45497383

IUPACmethyl 4-[2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]benzoate
SMILESCOC(=O)c1ccc(-c2csc(NC(=O)c3c(C)nc4ccccn34)n2)cc1
InChIInChI=1S/C20H16N4O3S/c1-12-17(24-10-4-3-5-16(24)21-12)18(25)23-20-22-15(11-28-20)13-6-8-14(9-7-13)19(26)27-2/h3-11H,1-2H3,(H,22,23,25)
InChIKeyZDZRPQXLPZECRG-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.81
Rot. Bonds4

About methyl 4-[2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]benzoate

methyl 4-[2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]benzoate (PubChem CID 45497383) has the molecular formula C20H16N4O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is methyl 4-[2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]benzoate
PubChem CID45497383
Molecular FormulaC20H16N4O3S
Molecular Weight392.44 g/mol
Exact Mass392.09
IUPAC Namemethyl 4-[2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]benzoate
SMILESCOC(=O)c1ccc(-c2csc(NC(=O)c3c(C)nc4ccccn34)n2)cc1
InChIInChI=1S/C20H16N4O3S/c1-12-17(24-10-4-3-5-16(24)21-12)18(25)23-20-22-15(11-28-20)13-6-8-14(9-7-13)19(26)27-2/h3-11H,1-2H3,(H,22,23,25)
InChIKeyZDZRPQXLPZECRG-UHFFFAOYSA-N
XLogP3.81
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-[2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]benzoate with MolForge

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Related Compounds

N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 121023774
methyl 4-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]benzoate
CID 17424348
methyl 4-[2-[[2-(2-chlorophenyl)acetyl]amino]-1,3-thiazol-4-yl]benzoate
CID 121023796
methyl 4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]carbamoyl]benzoate
CID 4169959
N-(2-methoxyphenyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 5134130
methyl 4-[2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-1,3-thiazol-4-yl]benzoate
CID 4103238
methyl 4-[2-[(2,3-dimethoxybenzoyl)amino]-1,3-thiazol-4-yl]benzoate
CID 7532996
methyl 4-[2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazol-4-yl]benzoate
CID 43951125
methyl 4-[2-[(2-cyanoacetyl)amino]-1,3-thiazol-4-yl]benzoate
CID 146190126
methyl 6-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate
CID 43049637
methyl 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]carbamoyl]benzoate
CID 108798618
methyl 4-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]benzoate
CID 60551769

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]benzoate?
The IUPAC name of methyl 4-[2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]benzoate (CID 45497383) is methyl 4-[2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]benzoate.
What is the SMILES notation for methyl 4-[2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]benzoate?
The canonical SMILES for methyl 4-[2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]benzoate is COC(=O)c1ccc(-c2csc(NC(=O)c3c(C)nc4ccccn34)n2)cc1.
What is the InChIKey of methyl 4-[2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]benzoate?
The InChIKey is ZDZRPQXLPZECRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3S/c1-12-17(24-10-4-3-5-16(24)21-12)18(25)23-20-22-15(11-28-20)13-6-8-14(9-7-13)19(26)27-2/h3-11H,1-2H3,(H,22,23,25).
What are the key properties of methyl 4-[2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]benzoate?
methyl 4-[2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]benzoate has a molecular weight of 392.44 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]benzoate is sourced from PubChem (CID 45497383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).