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

C18H18N2O5S — CID 7906517

IUPAC(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-ethoxy-4-methoxybenzoate
SMILESCCOc1cc(C(=O)OCc2cc(=O)n3c(C)csc3n2)ccc1OC
InChIInChI=1S/C18H18N2O5S/c1-4-24-15-7-12(5-6-14(15)23-3)17(22)25-9-13-8-16(21)20-11(2)10-26-18(20)19-13/h5-8,10H,4,9H2,1-3H3
InChIKeyTWTINIPXTAXCJQ-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.83
Rot. Bonds6

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

(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-ethoxy-4-methoxybenzoate (PubChem CID 7906517) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-ethoxy-4-methoxybenzoate.

Molecular Properties

Compound Name(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-ethoxy-4-methoxybenzoate
PubChem CID7906517
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC Name(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-ethoxy-4-methoxybenzoate
SMILESCCOc1cc(C(=O)OCc2cc(=O)n3c(C)csc3n2)ccc1OC
InChIInChI=1S/C18H18N2O5S/c1-4-24-15-7-12(5-6-14(15)23-3)17(22)25-9-13-8-16(21)20-11(2)10-26-18(20)19-13/h5-8,10H,4,9H2,1-3H3
InChIKeyTWTINIPXTAXCJQ-UHFFFAOYSA-N
XLogP2.83
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-ethoxy-4-methoxybenzoate?
The IUPAC name of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-ethoxy-4-methoxybenzoate (CID 7906517) is (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-ethoxy-4-methoxybenzoate.
What is the SMILES notation for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-ethoxy-4-methoxybenzoate?
The canonical SMILES for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-ethoxy-4-methoxybenzoate is CCOc1cc(C(=O)OCc2cc(=O)n3c(C)csc3n2)ccc1OC.
What is the InChIKey of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-ethoxy-4-methoxybenzoate?
The InChIKey is TWTINIPXTAXCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S/c1-4-24-15-7-12(5-6-14(15)23-3)17(22)25-9-13-8-16(21)20-11(2)10-26-18(20)19-13/h5-8,10H,4,9H2,1-3H3.
What are the key properties of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-ethoxy-4-methoxybenzoate?
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-ethoxy-4-methoxybenzoate has a molecular weight of 374.42 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-ethoxy-4-methoxybenzoate is sourced from PubChem (CID 7906517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).