(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(2-methoxy-4-methylphenoxy)acetate

C17H16N2O5S — CID 3374878

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(2-methoxy-4-methylphenoxy)acetate
SMILESCOc1cc(C)ccc1OCC(=O)OCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C17H16N2O5S/c1-11-3-4-13(14(7-11)22-2)23-10-16(21)24-9-12-8-15(20)19-5-6-25-17(19)18-12/h3-8H,9-10H2,1-2H3
InChIKeyLMXUGDZLUARIAQ-UHFFFAOYSA-N
MW360.39 g/mol
LogP2.20
Rot. Bonds6

About (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(2-methoxy-4-methylphenoxy)acetate

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(2-methoxy-4-methylphenoxy)acetate (PubChem CID 3374878) has the molecular formula C17H16N2O5S and a molecular weight of 360.39 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(2-methoxy-4-methylphenoxy)acetate.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(2-methoxy-4-methylphenoxy)acetate
PubChem CID3374878
Molecular FormulaC17H16N2O5S
Molecular Weight360.39 g/mol
Exact Mass360.08
IUPAC Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(2-methoxy-4-methylphenoxy)acetate
SMILESCOc1cc(C)ccc1OCC(=O)OCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C17H16N2O5S/c1-11-3-4-13(14(7-11)22-2)23-10-16(21)24-9-12-8-15(20)19-5-6-25-17(19)18-12/h3-8H,9-10H2,1-2H3
InChIKeyLMXUGDZLUARIAQ-UHFFFAOYSA-N
XLogP2.20
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 5024816
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(4-fluorophenoxy)acetate
CID 7791374
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(2,5-dimethylphenyl)sulfanylacetate
CID 7788536
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (3S)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 8634383
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 16508114
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,4-dimethoxybenzoate
CID 2659412
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(2-chloro-5-methylphenoxy)acetate
CID 7234792
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-thiophen-3-ylacetate
CID 3903214
N-[4-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-(3-methylphenoxy)acetamide
CID 53092322
7-[(2-methylphenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 7817594
N-[5-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-(3-methylphenoxy)acetamide
CID 53092280
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(2,5-dimethylpyrrol-1-yl)benzoate
CID 7274928

Frequently Asked Questions

What is the IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(2-methoxy-4-methylphenoxy)acetate?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(2-methoxy-4-methylphenoxy)acetate (CID 3374878) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(2-methoxy-4-methylphenoxy)acetate.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(2-methoxy-4-methylphenoxy)acetate?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(2-methoxy-4-methylphenoxy)acetate is COc1cc(C)ccc1OCC(=O)OCc1cc(=O)n2ccsc2n1.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(2-methoxy-4-methylphenoxy)acetate?
The InChIKey is LMXUGDZLUARIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5S/c1-11-3-4-13(14(7-11)22-2)23-10-16(21)24-9-12-8-15(20)19-5-6-25-17(19)18-12/h3-8H,9-10H2,1-2H3.
What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(2-methoxy-4-methylphenoxy)acetate?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(2-methoxy-4-methylphenoxy)acetate has a molecular weight of 360.39 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(2-methoxy-4-methylphenoxy)acetate is sourced from PubChem (CID 3374878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).