7-[[2-(morpholine-4-carbonyl)phenoxy]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C18H17N3O4S — CID 42932619

IUPAC7-[[2-(morpholine-4-carbonyl)phenoxy]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1ccccc1OCc1cc(=O)n2ccsc2n1)N1CCOCC1
InChIInChI=1S/C18H17N3O4S/c22-16-11-13(19-18-21(16)7-10-26-18)12-25-15-4-2-1-3-14(15)17(23)20-5-8-24-9-6-20/h1-4,7,10-11H,5-6,8-9,12H2
InChIKeyBXPBRKTWRQNMHQ-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.81
Rot. Bonds4

About 7-[[2-(morpholine-4-carbonyl)phenoxy]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[2-(morpholine-4-carbonyl)phenoxy]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 42932619) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is 7-[[2-(morpholine-4-carbonyl)phenoxy]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[2-(morpholine-4-carbonyl)phenoxy]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID42932619
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Name7-[[2-(morpholine-4-carbonyl)phenoxy]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1ccccc1OCc1cc(=O)n2ccsc2n1)N1CCOCC1
InChIInChI=1S/C18H17N3O4S/c22-16-11-13(19-18-21(16)7-10-26-18)12-25-15-4-2-1-3-14(15)17(23)20-5-8-24-9-6-20/h1-4,7,10-11H,5-6,8-9,12H2
InChIKeyBXPBRKTWRQNMHQ-UHFFFAOYSA-N
XLogP1.81
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]benzoate
CID 7764019
7-[(2-methylphenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 7817594
2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]benzonitrile
CID 2659540
7-[(2-nitrophenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2500347
7-(1,3-benzodioxol-5-yloxymethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 42885339
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-chloropyridine-3-carboxylate
CID 2653786
7-[[(2R)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 9155350
7-[[4-(4-fluorobenzoyl)phenoxy]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2440425
7-[[(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 127744403
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(thiophene-2-carbonyl)benzoate
CID 46811947
7-[[3-(aminomethyl)phenoxy]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 106485005
4-[[2-(morpholine-4-carbonyl)phenoxy]methyl]benzonitrile
CID 17465828

Frequently Asked Questions

What is the IUPAC name of 7-[[2-(morpholine-4-carbonyl)phenoxy]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[2-(morpholine-4-carbonyl)phenoxy]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 42932619) is 7-[[2-(morpholine-4-carbonyl)phenoxy]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[2-(morpholine-4-carbonyl)phenoxy]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[2-(morpholine-4-carbonyl)phenoxy]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=C(c1ccccc1OCc1cc(=O)n2ccsc2n1)N1CCOCC1.
What is the InChIKey of 7-[[2-(morpholine-4-carbonyl)phenoxy]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is BXPBRKTWRQNMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c22-16-11-13(19-18-21(16)7-10-26-18)12-25-15-4-2-1-3-14(15)17(23)20-5-8-24-9-6-20/h1-4,7,10-11H,5-6,8-9,12H2.
What are the key properties of 7-[[2-(morpholine-4-carbonyl)phenoxy]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[2-(morpholine-4-carbonyl)phenoxy]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 371.42 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(morpholine-4-carbonyl)phenoxy]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 42932619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).