ethyl (4R)-2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate

C18H18N4O3S — CID 51868465

IUPACethyl (4R)-2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
SMILESCCOC(=O)[C@@H]1CCc2sc(NC(=O)c3c(C)nc4ccccn34)nc21
InChIInChI=1S/C18H18N4O3S/c1-3-25-17(24)11-7-8-12-14(11)20-18(26-12)21-16(23)15-10(2)19-13-6-4-5-9-22(13)15/h4-6,9,11H,3,7-8H2,1-2H3,(H,20,21,23)/t11-/m1/s1
InChIKeyYWFVOFDLLPUPCY-LLVKDONJSA-N
MW370.43 g/mol
LogP2.94
Rot. Bonds4

About ethyl (4R)-2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate

ethyl (4R)-2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate (PubChem CID 51868465) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is ethyl (4R)-2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl (4R)-2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
PubChem CID51868465
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Nameethyl (4R)-2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
SMILESCCOC(=O)[C@@H]1CCc2sc(NC(=O)c3c(C)nc4ccccn34)nc21
InChIInChI=1S/C18H18N4O3S/c1-3-25-17(24)11-7-8-12-14(11)20-18(26-12)21-16(23)15-10(2)19-13-6-4-5-9-22(13)15/h4-6,9,11H,3,7-8H2,1-2H3,(H,20,21,23)/t11-/m1/s1
InChIKeyYWFVOFDLLPUPCY-LLVKDONJSA-N
XLogP2.94
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
The IUPAC name of ethyl (4R)-2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate (CID 51868465) is ethyl (4R)-2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate.
What is the SMILES notation for ethyl (4R)-2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
The canonical SMILES for ethyl (4R)-2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate is CCOC(=O)[C@@H]1CCc2sc(NC(=O)c3c(C)nc4ccccn34)nc21.
What is the InChIKey of ethyl (4R)-2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
The InChIKey is YWFVOFDLLPUPCY-LLVKDONJSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-3-25-17(24)11-7-8-12-14(11)20-18(26-12)21-16(23)15-10(2)19-13-6-4-5-9-22(13)15/h4-6,9,11H,3,7-8H2,1-2H3,(H,20,21,23)/t11-/m1/s1.
What are the key properties of ethyl (4R)-2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
ethyl (4R)-2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate has a molecular weight of 370.43 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate is sourced from PubChem (CID 51868465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).