3-fluoro-2-(4-methyl-1,3-thiazol-2-yl)pyrido[1,2-a]pyrimidin-4-one

C12H8FN3OS — CID 141381177

IUPAC3-fluoro-2-(4-methyl-1,3-thiazol-2-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1csc(-c2nc3ccccn3c(=O)c2F)n1
InChIInChI=1S/C12H8FN3OS/c1-7-6-18-11(14-7)10-9(13)12(17)16-5-3-2-4-8(16)15-10/h2-6H,1H3
InChIKeyVRQXAKVRTASVPD-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.27
Rot. Bonds1

About 3-fluoro-2-(4-methyl-1,3-thiazol-2-yl)pyrido[1,2-a]pyrimidin-4-one

3-fluoro-2-(4-methyl-1,3-thiazol-2-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 141381177) has the molecular formula C12H8FN3OS and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-fluoro-2-(4-methyl-1,3-thiazol-2-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-fluoro-2-(4-methyl-1,3-thiazol-2-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID141381177
Molecular FormulaC12H8FN3OS
Molecular Weight261.28 g/mol
Exact Mass261.04
IUPAC Name3-fluoro-2-(4-methyl-1,3-thiazol-2-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1csc(-c2nc3ccccn3c(=O)c2F)n1
InChIInChI=1S/C12H8FN3OS/c1-7-6-18-11(14-7)10-9(13)12(17)16-5-3-2-4-8(16)15-10/h2-6H,1H3
InChIKeyVRQXAKVRTASVPD-UHFFFAOYSA-N
XLogP2.27
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(4-methyl-1,3-thiazol-2-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-fluoro-2-(4-methyl-1,3-thiazol-2-yl)pyrido[1,2-a]pyrimidin-4-one (CID 141381177) is 3-fluoro-2-(4-methyl-1,3-thiazol-2-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-fluoro-2-(4-methyl-1,3-thiazol-2-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-fluoro-2-(4-methyl-1,3-thiazol-2-yl)pyrido[1,2-a]pyrimidin-4-one is Cc1csc(-c2nc3ccccn3c(=O)c2F)n1.
What is the InChIKey of 3-fluoro-2-(4-methyl-1,3-thiazol-2-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is VRQXAKVRTASVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3OS/c1-7-6-18-11(14-7)10-9(13)12(17)16-5-3-2-4-8(16)15-10/h2-6H,1H3.
What are the key properties of 3-fluoro-2-(4-methyl-1,3-thiazol-2-yl)pyrido[1,2-a]pyrimidin-4-one?
3-fluoro-2-(4-methyl-1,3-thiazol-2-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 261.28 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(4-methyl-1,3-thiazol-2-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 141381177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).