3-cyclopropyl-7-[(N-ethyl-2-fluoroanilino)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C19H20FN3OS — CID 122438549

IUPAC3-cyclopropyl-7-[(N-ethyl-2-fluoroanilino)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCN(Cc1cc(=O)n2c(C3CC3)c(C)sc2n1)c1ccccc1F
InChIInChI=1S/C19H20FN3OS/c1-3-22(16-7-5-4-6-15(16)20)11-14-10-17(24)23-18(13-8-9-13)12(2)25-19(23)21-14/h4-7,10,13H,3,8-9,11H2,1-2H3
InChIKeyBCCNTDSDRWSFQH-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.11
Rot. Bonds5

About 3-cyclopropyl-7-[(N-ethyl-2-fluoroanilino)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

3-cyclopropyl-7-[(N-ethyl-2-fluoroanilino)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 122438549) has the molecular formula C19H20FN3OS and a molecular weight of 357.45 g/mol. Its IUPAC name is 3-cyclopropyl-7-[(N-ethyl-2-fluoroanilino)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-cyclopropyl-7-[(N-ethyl-2-fluoroanilino)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID122438549
Molecular FormulaC19H20FN3OS
Molecular Weight357.45 g/mol
Exact Mass357.13
IUPAC Name3-cyclopropyl-7-[(N-ethyl-2-fluoroanilino)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCN(Cc1cc(=O)n2c(C3CC3)c(C)sc2n1)c1ccccc1F
InChIInChI=1S/C19H20FN3OS/c1-3-22(16-7-5-4-6-15(16)20)11-14-10-17(24)23-18(13-8-9-13)12(2)25-19(23)21-14/h4-7,10,13H,3,8-9,11H2,1-2H3
InChIKeyBCCNTDSDRWSFQH-UHFFFAOYSA-N
XLogP4.11
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-7-[(N-ethyl-2-fluoroanilino)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-cyclopropyl-7-[(N-ethyl-2-fluoroanilino)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 122438549) is 3-cyclopropyl-7-[(N-ethyl-2-fluoroanilino)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3-cyclopropyl-7-[(N-ethyl-2-fluoroanilino)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-cyclopropyl-7-[(N-ethyl-2-fluoroanilino)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCN(Cc1cc(=O)n2c(C3CC3)c(C)sc2n1)c1ccccc1F.
What is the InChIKey of 3-cyclopropyl-7-[(N-ethyl-2-fluoroanilino)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is BCCNTDSDRWSFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3OS/c1-3-22(16-7-5-4-6-15(16)20)11-14-10-17(24)23-18(13-8-9-13)12(2)25-19(23)21-14/h4-7,10,13H,3,8-9,11H2,1-2H3.
What are the key properties of 3-cyclopropyl-7-[(N-ethyl-2-fluoroanilino)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-cyclopropyl-7-[(N-ethyl-2-fluoroanilino)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 357.45 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-7-[(N-ethyl-2-fluoroanilino)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 122438549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).