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

C18H18N2O5S — CID 8934227

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methoxy-4-propan-2-yloxybenzoate
SMILESCOc1cc(C(=O)OCc2cc(=O)n3ccsc3n2)ccc1OC(C)C
InChIInChI=1S/C18H18N2O5S/c1-11(2)25-14-5-4-12(8-15(14)23-3)17(22)24-10-13-9-16(21)20-6-7-26-18(20)19-13/h4-9,11H,10H2,1-3H3
InChIKeySEIKEKXQIYWOKH-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.91
Rot. Bonds6

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

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methoxy-4-propan-2-yloxybenzoate (PubChem CID 8934227) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methoxy-4-propan-2-yloxybenzoate.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methoxy-4-propan-2-yloxybenzoate
PubChem CID8934227
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methoxy-4-propan-2-yloxybenzoate
SMILESCOc1cc(C(=O)OCc2cc(=O)n3ccsc3n2)ccc1OC(C)C
InChIInChI=1S/C18H18N2O5S/c1-11(2)25-14-5-4-12(8-15(14)23-3)17(22)24-10-13-9-16(21)20-6-7-26-18(20)19-13/h4-9,11H,10H2,1-3H3
InChIKeySEIKEKXQIYWOKH-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methoxy-4-propan-2-yloxybenzoate?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methoxy-4-propan-2-yloxybenzoate (CID 8934227) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methoxy-4-propan-2-yloxybenzoate.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methoxy-4-propan-2-yloxybenzoate?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methoxy-4-propan-2-yloxybenzoate is COc1cc(C(=O)OCc2cc(=O)n3ccsc3n2)ccc1OC(C)C.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methoxy-4-propan-2-yloxybenzoate?
The InChIKey is SEIKEKXQIYWOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S/c1-11(2)25-14-5-4-12(8-15(14)23-3)17(22)24-10-13-9-16(21)20-6-7-26-18(20)19-13/h4-9,11H,10H2,1-3H3.
What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methoxy-4-propan-2-yloxybenzoate?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methoxy-4-propan-2-yloxybenzoate has a molecular weight of 374.42 g/mol, XLogP of 2.91, 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 3-methoxy-4-propan-2-yloxybenzoate is sourced from PubChem (CID 8934227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).