2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]benzonitrile

C14H9N3O2S — CID 2659540

IUPAC2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]benzonitrile
SMILESN#Cc1ccccc1OCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C14H9N3O2S/c15-8-10-3-1-2-4-12(10)19-9-11-7-13(18)17-5-6-20-14(17)16-11/h1-7H,9H2
InChIKeyBLACIGNQAXLSSD-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.21
Rot. Bonds3

About 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]benzonitrile

2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]benzonitrile (PubChem CID 2659540) has the molecular formula C14H9N3O2S and a molecular weight of 283.31 g/mol. Its IUPAC name is 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]benzonitrile.

Molecular Properties

Compound Name2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]benzonitrile
PubChem CID2659540
Molecular FormulaC14H9N3O2S
Molecular Weight283.31 g/mol
Exact Mass283.04
IUPAC Name2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]benzonitrile
SMILESN#Cc1ccccc1OCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C14H9N3O2S/c15-8-10-3-1-2-4-12(10)19-9-11-7-13(18)17-5-6-20-14(17)16-11/h1-7H,9H2
InChIKeyBLACIGNQAXLSSD-UHFFFAOYSA-N
XLogP2.21
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-[(2-methylphenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 7817594
7-[(2-nitrophenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2500347
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(2-cyanophenyl)benzoate
CID 7522558
methyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]benzoate
CID 7764019
2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzonitrile
CID 18199844
7-[[2-(morpholine-4-carbonyl)phenoxy]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 42932619
7-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 5028416
7-[(4-methoxy-2-nitrophenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 7473319
7-[(6-bromoquinazolin-4-yl)oxymethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 55321568
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-iodobenzoate
CID 3585239
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-bromobenzoate
CID 2653790
7-(1,3-benzodioxol-5-yloxymethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 42885339

Frequently Asked Questions

What is the IUPAC name of 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]benzonitrile?
The IUPAC name of 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]benzonitrile (CID 2659540) is 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]benzonitrile.
What is the SMILES notation for 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]benzonitrile?
The canonical SMILES for 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]benzonitrile is N#Cc1ccccc1OCc1cc(=O)n2ccsc2n1.
What is the InChIKey of 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]benzonitrile?
The InChIKey is BLACIGNQAXLSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O2S/c15-8-10-3-1-2-4-12(10)19-9-11-7-13(18)17-5-6-20-14(17)16-11/h1-7H,9H2.
What are the key properties of 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]benzonitrile?
2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]benzonitrile has a molecular weight of 283.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]benzonitrile is sourced from PubChem (CID 2659540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).