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

C14H13N3O2S — CID 106485005

IUPAC7-[[3-(aminomethyl)phenoxy]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESNCc1cccc(OCc2cc(=O)n3ccsc3n2)c1
InChIInChI=1S/C14H13N3O2S/c15-8-10-2-1-3-12(6-10)19-9-11-7-13(18)17-4-5-20-14(17)16-11/h1-7H,8-9,15H2
InChIKeyTVDUUBRBGIROHQ-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.79
Rot. Bonds4

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

7-[[3-(aminomethyl)phenoxy]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 106485005) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 7-[[3-(aminomethyl)phenoxy]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[3-(aminomethyl)phenoxy]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID106485005
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name7-[[3-(aminomethyl)phenoxy]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESNCc1cccc(OCc2cc(=O)n3ccsc3n2)c1
InChIInChI=1S/C14H13N3O2S/c15-8-10-2-1-3-12(6-10)19-9-11-7-13(18)17-4-5-20-14(17)16-11/h1-7H,8-9,15H2
InChIKeyTVDUUBRBGIROHQ-UHFFFAOYSA-N
XLogP1.79
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(1,3-benzodioxol-5-yloxymethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 42885339
7-[(2-methylphenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 7817594
7-[[4-(4-fluorobenzoyl)phenoxy]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2440425
2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]benzonitrile
CID 2659540
N-[4-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-(3-methylphenoxy)acetamide
CID 53092322
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-bromobenzoate
CID 2653790
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-iodobenzoate
CID 3585239
7-[(2-nitrophenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2500347
N-[5-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-(3-methylphenoxy)acetamide
CID 53092280
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-ethylbenzoate
CID 2659498
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-thiophen-3-ylacetate
CID 3903214
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(4-fluorophenoxy)acetate
CID 7791374

Frequently Asked Questions

What is the IUPAC name of 7-[[3-(aminomethyl)phenoxy]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[3-(aminomethyl)phenoxy]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 106485005) is 7-[[3-(aminomethyl)phenoxy]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[3-(aminomethyl)phenoxy]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[3-(aminomethyl)phenoxy]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is NCc1cccc(OCc2cc(=O)n3ccsc3n2)c1.
What is the InChIKey of 7-[[3-(aminomethyl)phenoxy]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is TVDUUBRBGIROHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c15-8-10-2-1-3-12(6-10)19-9-11-7-13(18)17-4-5-20-14(17)16-11/h1-7H,8-9,15H2.
What are the key properties of 7-[[3-(aminomethyl)phenoxy]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[3-(aminomethyl)phenoxy]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 287.34 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-(aminomethyl)phenoxy]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 106485005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).