2-[[(6-fluoro-1,3-benzothiazol-2-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

C16H11FN4OS — CID 146143572

IUPAC2-[[(6-fluoro-1,3-benzothiazol-2-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CNc2nc3ccc(F)cc3s2)nc2ccccn12
InChIInChI=1S/C16H11FN4OS/c17-10-4-5-12-13(7-10)23-16(20-12)18-9-11-8-15(22)21-6-2-1-3-14(21)19-11/h1-8H,9H2,(H,18,20)
InChIKeyPTYXOANACWULLK-UHFFFAOYSA-N
MW326.36 g/mol
LogP3.06
Rot. Bonds3

About 2-[[(6-fluoro-1,3-benzothiazol-2-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[(6-fluoro-1,3-benzothiazol-2-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 146143572) has the molecular formula C16H11FN4OS and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-[[(6-fluoro-1,3-benzothiazol-2-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(6-fluoro-1,3-benzothiazol-2-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID146143572
Molecular FormulaC16H11FN4OS
Molecular Weight326.36 g/mol
Exact Mass326.06
IUPAC Name2-[[(6-fluoro-1,3-benzothiazol-2-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CNc2nc3ccc(F)cc3s2)nc2ccccn12
InChIInChI=1S/C16H11FN4OS/c17-10-4-5-12-13(7-10)23-16(20-12)18-9-11-8-15(22)21-6-2-1-3-14(21)19-11/h1-8H,9H2,(H,18,20)
InChIKeyPTYXOANACWULLK-UHFFFAOYSA-N
XLogP3.06
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[(6-fluoro-1,3-benzothiazol-2-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(6-fluoro-1,3-benzothiazol-2-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 146143572) is 2-[[(6-fluoro-1,3-benzothiazol-2-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(6-fluoro-1,3-benzothiazol-2-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(6-fluoro-1,3-benzothiazol-2-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CNc2nc3ccc(F)cc3s2)nc2ccccn12.
What is the InChIKey of 2-[[(6-fluoro-1,3-benzothiazol-2-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is PTYXOANACWULLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4OS/c17-10-4-5-12-13(7-10)23-16(20-12)18-9-11-8-15(22)21-6-2-1-3-14(21)19-11/h1-8H,9H2,(H,18,20).
What are the key properties of 2-[[(6-fluoro-1,3-benzothiazol-2-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[(6-fluoro-1,3-benzothiazol-2-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 326.36 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6-fluoro-1,3-benzothiazol-2-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 146143572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).