3-chloro-2-(methylaminomethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C8H8ClN3OS — CID 83893943

IUPAC3-chloro-2-(methylaminomethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCNCc1sc2nccc(=O)n2c1Cl
InChIInChI=1S/C8H8ClN3OS/c1-10-4-5-7(9)12-6(13)2-3-11-8(12)14-5/h2-3,10H,4H2,1H3
InChIKeyKLYQQOSBRVJOIL-UHFFFAOYSA-N
MW229.69 g/mol
LogP1.13
Rot. Bonds2

About 3-chloro-2-(methylaminomethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

3-chloro-2-(methylaminomethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 83893943) has the molecular formula C8H8ClN3OS and a molecular weight of 229.69 g/mol. Its IUPAC name is 3-chloro-2-(methylaminomethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-chloro-2-(methylaminomethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID83893943
Molecular FormulaC8H8ClN3OS
Molecular Weight229.69 g/mol
Exact Mass229.01
IUPAC Name3-chloro-2-(methylaminomethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCNCc1sc2nccc(=O)n2c1Cl
InChIInChI=1S/C8H8ClN3OS/c1-10-4-5-7(9)12-6(13)2-3-11-8(12)14-5/h2-3,10H,4H2,1H3
InChIKeyKLYQQOSBRVJOIL-UHFFFAOYSA-N
XLogP1.13
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.69
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(methylaminomethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-chloro-2-(methylaminomethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 83893943) is 3-chloro-2-(methylaminomethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3-chloro-2-(methylaminomethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-chloro-2-(methylaminomethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CNCc1sc2nccc(=O)n2c1Cl.
What is the InChIKey of 3-chloro-2-(methylaminomethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is KLYQQOSBRVJOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3OS/c1-10-4-5-7(9)12-6(13)2-3-11-8(12)14-5/h2-3,10H,4H2,1H3.
What are the key properties of 3-chloro-2-(methylaminomethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-chloro-2-(methylaminomethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 229.69 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(methylaminomethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 83893943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).