methyl 4-formamido-2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-thiazole-5-carboxylate

C19H14N4O3S — CID 90820162

IUPACmethyl 4-formamido-2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(-c2ccc(-c3cn4ccccc4n3)cc2)nc1NC=O
InChIInChI=1S/C19H14N4O3S/c1-26-19(25)16-17(20-11-24)22-18(27-16)13-7-5-12(6-8-13)14-10-23-9-3-2-4-15(23)21-14/h2-11H,1H3,(H,20,24)
InChIKeyHHDNEWRXZHEWCO-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.48
Rot. Bonds5

About methyl 4-formamido-2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-thiazole-5-carboxylate

methyl 4-formamido-2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-thiazole-5-carboxylate (PubChem CID 90820162) has the molecular formula C19H14N4O3S and a molecular weight of 378.41 g/mol. Its IUPAC name is methyl 4-formamido-2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-formamido-2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-thiazole-5-carboxylate
PubChem CID90820162
Molecular FormulaC19H14N4O3S
Molecular Weight378.41 g/mol
Exact Mass378.08
IUPAC Namemethyl 4-formamido-2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(-c2ccc(-c3cn4ccccc4n3)cc2)nc1NC=O
InChIInChI=1S/C19H14N4O3S/c1-26-19(25)16-17(20-11-24)22-18(27-16)13-7-5-12(6-8-13)14-10-23-9-3-2-4-15(23)21-14/h2-11H,1H3,(H,20,24)
InChIKeyHHDNEWRXZHEWCO-UHFFFAOYSA-N
XLogP3.48
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 4-formamido-2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-formamido-2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-thiazole-5-carboxylate (CID 90820162) is methyl 4-formamido-2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-formamido-2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-formamido-2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-thiazole-5-carboxylate is COC(=O)c1sc(-c2ccc(-c3cn4ccccc4n3)cc2)nc1NC=O.
What is the InChIKey of methyl 4-formamido-2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-thiazole-5-carboxylate?
The InChIKey is HHDNEWRXZHEWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3S/c1-26-19(25)16-17(20-11-24)22-18(27-16)13-7-5-12(6-8-13)14-10-23-9-3-2-4-15(23)21-14/h2-11H,1H3,(H,20,24).
What are the key properties of methyl 4-formamido-2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-thiazole-5-carboxylate?
methyl 4-formamido-2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-thiazole-5-carboxylate has a molecular weight of 378.41 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-formamido-2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 90820162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).