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

C15H10F2N2O4S — CID 5169602

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(difluoromethoxy)benzoate
SMILESO=C(OCc1cc(=O)n2ccsc2n1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H10F2N2O4S/c16-14(17)23-11-3-1-9(2-4-11)13(21)22-8-10-7-12(20)19-5-6-24-15(19)18-10/h1-7,14H,8H2
InChIKeyLNOCHXOUXFHUFH-UHFFFAOYSA-N
MW352.32 g/mol
LogP2.71
Rot. Bonds5

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

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(difluoromethoxy)benzoate (PubChem CID 5169602) has the molecular formula C15H10F2N2O4S and a molecular weight of 352.32 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(difluoromethoxy)benzoate.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(difluoromethoxy)benzoate
PubChem CID5169602
Molecular FormulaC15H10F2N2O4S
Molecular Weight352.32 g/mol
Exact Mass352.03
IUPAC Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(difluoromethoxy)benzoate
SMILESO=C(OCc1cc(=O)n2ccsc2n1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H10F2N2O4S/c16-14(17)23-11-3-1-9(2-4-11)13(21)22-8-10-7-12(20)19-5-6-24-15(19)18-10/h1-7,14H,8H2
InChIKeyLNOCHXOUXFHUFH-UHFFFAOYSA-N
XLogP2.71
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 52.71
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
7-[(4-Acetylphenoxy)methyl]-5-thiazolo[3,2-a]pyrimidinone
CID 2621404
{5-Oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methyl 3,4,5-trimethoxybenzoate
CID 2653827
{5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl 2-methoxybenzoate
CID 2653720
(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methoxy-4-propan-2-yloxybenzoate
CID 8934227
{2-Methyl-5-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methyl 4-ethoxybenzoate
CID 16026816
(3-Methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-fluoro-4-methoxybenzoate
CID 7991843
7-[[4-(4-Fluorobenzoyl)phenoxy]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2440425
6-[4-(Difluoromethoxy)phenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]-pyrimidin-5-one
CID 66752947
7-Methyl-6-[4-(2,2,2-trifluoroethoxy)phenyl]-5H-[1,3]thiazolo[3,2-a]-pyrimidin-5-one
CID 66753580

Frequently Asked Questions

What is the IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(difluoromethoxy)benzoate?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(difluoromethoxy)benzoate (CID 5169602) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(difluoromethoxy)benzoate.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(difluoromethoxy)benzoate?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(difluoromethoxy)benzoate is O=C(OCc1cc(=O)n2ccsc2n1)c1ccc(OC(F)F)cc1.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(difluoromethoxy)benzoate?
The InChIKey is LNOCHXOUXFHUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O4S/c16-14(17)23-11-3-1-9(2-4-11)13(21)22-8-10-7-12(20)19-5-6-24-15(19)18-10/h1-7,14H,8H2.
What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(difluoromethoxy)benzoate?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(difluoromethoxy)benzoate has a molecular weight of 352.32 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(difluoromethoxy)benzoate is sourced from PubChem (CID 5169602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).