(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2R)-2-phenoxypropanoate

C17H16N2O4S — CID 51436225

IUPAC(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2R)-2-phenoxypropanoate
SMILESCc1cn2c(=O)cc(COC(=O)[C@@H](C)Oc3ccccc3)nc2s1
InChIInChI=1S/C17H16N2O4S/c1-11-9-19-15(20)8-13(18-17(19)24-11)10-22-16(21)12(2)23-14-6-4-3-5-7-14/h3-9,12H,10H2,1-2H3/t12-/m1/s1
InChIKeyXVLGHDICQXKAGG-GFCCVEGCSA-N
MW344.39 g/mol
LogP2.58
Rot. Bonds5

About (2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2R)-2-phenoxypropanoate

(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2R)-2-phenoxypropanoate (PubChem CID 51436225) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is (2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2R)-2-phenoxypropanoate.

Molecular Properties

Compound Name(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2R)-2-phenoxypropanoate
PubChem CID51436225
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2R)-2-phenoxypropanoate
SMILESCc1cn2c(=O)cc(COC(=O)[C@@H](C)Oc3ccccc3)nc2s1
InChIInChI=1S/C17H16N2O4S/c1-11-9-19-15(20)8-13(18-17(19)24-11)10-22-16(21)12(2)23-14-6-4-3-5-7-14/h3-9,12H,10H2,1-2H3/t12-/m1/s1
InChIKeyXVLGHDICQXKAGG-GFCCVEGCSA-N
XLogP2.58
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-phenoxypropanoate
CID 20946495
(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methoxybenzoate
CID 46339751
(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-methoxybenzoate
CID 46339749
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (2R)-2-(4-chlorophenoxy)propanoate
CID 8520550
(2R)-N-[3-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenylbutanamide
CID 95059118
(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl adamantane-1-carboxylate
CID 46339736
N-[4-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzamide
CID 53092425
(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(4-methylbenzoyl)amino]benzoate
CID 46343543
7-[[(3-hydroxy-1-phenylcyclobutyl)amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 146139449
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl (2R)-2-phenoxypropanoate
CID 8790409
(5-oxo-2-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[[(2R)-2-phenoxypropanoyl]amino]benzoate
CID 51436298
(2S)-N-[2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenoxypropanamide
CID 92876319

Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2R)-2-phenoxypropanoate?
The IUPAC name of (2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2R)-2-phenoxypropanoate (CID 51436225) is (2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2R)-2-phenoxypropanoate.
What is the SMILES notation for (2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2R)-2-phenoxypropanoate?
The canonical SMILES for (2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2R)-2-phenoxypropanoate is Cc1cn2c(=O)cc(COC(=O)[C@@H](C)Oc3ccccc3)nc2s1.
What is the InChIKey of (2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2R)-2-phenoxypropanoate?
The InChIKey is XVLGHDICQXKAGG-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-11-9-19-15(20)8-13(18-17(19)24-11)10-22-16(21)12(2)23-14-6-4-3-5-7-14/h3-9,12H,10H2,1-2H3/t12-/m1/s1.
What are the key properties of (2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2R)-2-phenoxypropanoate?
(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2R)-2-phenoxypropanoate has a molecular weight of 344.39 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2R)-2-phenoxypropanoate is sourced from PubChem (CID 51436225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).