(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate

C16H11ClN4O3S — CID 8522637

IUPAC(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate
SMILESCc1ccc2nc(COC(=O)c3c(Cl)nc4sccn34)cc(=O)n2c1
InChIInChI=1S/C16H11ClN4O3S/c1-9-2-3-11-18-10(6-12(22)21(11)7-9)8-24-15(23)13-14(17)19-16-20(13)4-5-25-16/h2-7H,8H2,1H3
InChIKeyUJQYOBGEEKARMU-UHFFFAOYSA-N
MW374.81 g/mol
LogP2.72
Rot. Bonds3

About (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate (PubChem CID 8522637) has the molecular formula C16H11ClN4O3S and a molecular weight of 374.81 g/mol. Its IUPAC name is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate.

Molecular Properties

Compound Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate
PubChem CID8522637
Molecular FormulaC16H11ClN4O3S
Molecular Weight374.81 g/mol
Exact Mass374.02
IUPAC Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate
SMILESCc1ccc2nc(COC(=O)c3c(Cl)nc4sccn34)cc(=O)n2c1
InChIInChI=1S/C16H11ClN4O3S/c1-9-2-3-11-18-10(6-12(22)21(11)7-9)8-24-15(23)13-14(17)19-16-20(13)4-5-25-16/h2-7H,8H2,1H3
InChIKeyUJQYOBGEEKARMU-UHFFFAOYSA-N
XLogP2.72
TPSA77.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.81
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-aminobenzoate
CID 7494667
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2,5-dichlorobenzoate
CID 7679283
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2,5-dimethylthiophene-3-carboxylate
CID 8878188
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-chloro-2-fluorobenzoate
CID 8663992
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(methoxymethyl)benzoate
CID 7680253
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl pyridine-2-carboxylate
CID 7678760
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-amino-3,5-dichlorobenzoate
CID 7678735
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(difluoromethylsulfanyl)benzoate
CID 51328245
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4,5-dibromothiophene-2-carboxylate
CID 46814586
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-chloro-6-ethoxypyridine-2-carboxylate
CID 47072609
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-oxo-4-thiophen-2-ylbutanoate
CID 7537217
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 55425838

Frequently Asked Questions

What is the IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate?
The IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate (CID 8522637) is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate.
What is the SMILES notation for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate?
The canonical SMILES for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate is Cc1ccc2nc(COC(=O)c3c(Cl)nc4sccn34)cc(=O)n2c1.
What is the InChIKey of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate?
The InChIKey is UJQYOBGEEKARMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O3S/c1-9-2-3-11-18-10(6-12(22)21(11)7-9)8-24-15(23)13-14(17)19-16-20(13)4-5-25-16/h2-7H,8H2,1H3.
What are the key properties of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate?
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate has a molecular weight of 374.81 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate is sourced from PubChem (CID 8522637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).