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

C16H14N2O4S — CID 46339749

IUPAC(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2cc(=O)n3cc(C)sc3n2)cc1
InChIInChI=1S/C16H14N2O4S/c1-10-8-18-14(19)7-12(17-16(18)23-10)9-22-15(20)11-3-5-13(21-2)6-4-11/h3-8H,9H2,1-2H3
InChIKeyKRFRCOCVFKLOBI-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 4-methoxybenzoate

(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-methoxybenzoate (PubChem CID 46339749) 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 4-methoxybenzoate.

Molecular Properties

Compound Name(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-methoxybenzoate
PubChem CID46339749
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 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2cc(=O)n3cc(C)sc3n2)cc1
InChIInChI=1S/C16H14N2O4S/c1-10-8-18-14(19)7-12(17-16(18)23-10)9-22-15(20)11-3-5-13(21-2)6-4-11/h3-8H,9H2,1-2H3
InChIKeyKRFRCOCVFKLOBI-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

(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 3-[(4-methylbenzoyl)amino]benzoate
CID 46343543
(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (2R)-2-phenoxypropanoate
CID 51436225
(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl adamantane-1-carboxylate
CID 46339736
3-methoxy-N-[5-methyl-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]benzamide
CID 53092418
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(methoxymethyl)benzoate
CID 7587802
(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl benzoate
CID 20946285
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-aminobenzoate
CID 7494667
(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-bromobenzoate
CID 20946318
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-ethylbenzoate
CID 2659498
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(methoxymethyl)benzoate
CID 7680253
(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-methylbenzoate
CID 166189496

Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-methoxybenzoate?
The IUPAC name of (2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-methoxybenzoate (CID 46339749) is (2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-methoxybenzoate.
What is the SMILES notation for (2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-methoxybenzoate?
The canonical SMILES for (2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-methoxybenzoate is COc1ccc(C(=O)OCc2cc(=O)n3cc(C)sc3n2)cc1.
What is the InChIKey of (2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-methoxybenzoate?
The InChIKey is KRFRCOCVFKLOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-10-8-18-14(19)7-12(17-16(18)23-10)9-22-15(20)11-3-5-13(21-2)6-4-11/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 4-methoxybenzoate?
(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-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 4-methoxybenzoate is sourced from PubChem (CID 46339749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).