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

C16H14N2O4S — CID 46339748

IUPAC(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCc1cc(=O)n2cc(C)sc2n1
InChIInChI=1S/C16H14N2O4S/c1-10-8-18-14(19)7-11(17-16(18)23-10)9-22-15(20)12-5-3-4-6-13(12)21-2/h3-8H,9H2,1-2H3
InChIKeyBXCVVWPEKINVKG-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.43
Rot. Bonds4

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

(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methoxybenzoate (PubChem CID 46339748) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is (2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methoxybenzoate.

Molecular Properties

Compound Name(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methoxybenzoate
PubChem CID46339748
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Name(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCc1cc(=O)n2cc(C)sc2n1
InChIInChI=1S/C16H14N2O4S/c1-10-8-18-14(19)7-11(17-16(18)23-10)9-22-15(20)12-5-3-4-6-13(12)21-2/h3-8H,9H2,1-2H3
InChIKeyBXCVVWPEKINVKG-UHFFFAOYSA-N
XLogP2.43
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,4-dihydroxybenzoate
CID 2647201
(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-fluoro-4-methoxybenzoate
CID 7991588
Methyl 4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]benzoate
CID 2495626
(3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methoxybenzoate
CID 7485680
(2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2-methylphenoxy)acetate
CID 16026790
(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-hydroxybenzoate
CID 2653716
(5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methoxybenzoate
CID 2653720
(2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-ethoxybenzoate
CID 16026816
[5-Oxo-2-(propan-2-YL)-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-7-YL]methyl 2-methoxybenzoate
CID 16026892
(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(difluoromethoxy)benzoate
CID 5169602
[2-(2-ethoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 2-methoxybenzoate
CID 16026742
(2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methoxybenzoate
CID 16026743

Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methoxybenzoate?
The IUPAC name of (2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methoxybenzoate (CID 46339748) is (2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methoxybenzoate.
What is the SMILES notation for (2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methoxybenzoate?
The canonical SMILES for (2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methoxybenzoate is COc1ccccc1C(=O)OCc1cc(=O)n2cc(C)sc2n1.
What is the InChIKey of (2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methoxybenzoate?
The InChIKey is BXCVVWPEKINVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-10-8-18-14(19)7-11(17-16(18)23-10)9-22-15(20)12-5-3-4-6-13(12)21-2/h3-8H,9H2,1-2H3.
What are the key properties of (2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methoxybenzoate?
(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methoxybenzoate has a molecular weight of 330.37 g/mol, XLogP of 2.43, 4 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 2-methoxybenzoate is sourced from PubChem (CID 46339748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).