7-[(N-ethyl-4-fluoroanilino)methyl]-2-methyl-3-(1,3-oxazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C19H17FN4O2S — CID 118009520

IUPAC7-[(N-ethyl-4-fluoroanilino)methyl]-2-methyl-3-(1,3-oxazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCN(Cc1cc(=O)n2c(-c3ncco3)c(C)sc2n1)c1ccc(F)cc1
InChIInChI=1S/C19H17FN4O2S/c1-3-23(15-6-4-13(20)5-7-15)11-14-10-16(25)24-17(18-21-8-9-26-18)12(2)27-19(24)22-14/h4-10H,3,11H2,1-2H3
InChIKeyVMUSKYDWJGLXNZ-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.89
Rot. Bonds5

About 7-[(N-ethyl-4-fluoroanilino)methyl]-2-methyl-3-(1,3-oxazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[(N-ethyl-4-fluoroanilino)methyl]-2-methyl-3-(1,3-oxazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 118009520) has the molecular formula C19H17FN4O2S and a molecular weight of 384.44 g/mol. Its IUPAC name is 7-[(N-ethyl-4-fluoroanilino)methyl]-2-methyl-3-(1,3-oxazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(N-ethyl-4-fluoroanilino)methyl]-2-methyl-3-(1,3-oxazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID118009520
Molecular FormulaC19H17FN4O2S
Molecular Weight384.44 g/mol
Exact Mass384.11
IUPAC Name7-[(N-ethyl-4-fluoroanilino)methyl]-2-methyl-3-(1,3-oxazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCN(Cc1cc(=O)n2c(-c3ncco3)c(C)sc2n1)c1ccc(F)cc1
InChIInChI=1S/C19H17FN4O2S/c1-3-23(15-6-4-13(20)5-7-15)11-14-10-16(25)24-17(18-21-8-9-26-18)12(2)27-19(24)22-14/h4-10H,3,11H2,1-2H3
InChIKeyVMUSKYDWJGLXNZ-UHFFFAOYSA-N
XLogP3.89
TPSA63.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[(N-ethyl-4-fluoroanilino)methyl]-2-methyl-3-(1,3-oxazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(N-ethyl-4-fluoroanilino)methyl]-2-methyl-3-(1,3-oxazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 118009520) is 7-[(N-ethyl-4-fluoroanilino)methyl]-2-methyl-3-(1,3-oxazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(N-ethyl-4-fluoroanilino)methyl]-2-methyl-3-(1,3-oxazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(N-ethyl-4-fluoroanilino)methyl]-2-methyl-3-(1,3-oxazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCN(Cc1cc(=O)n2c(-c3ncco3)c(C)sc2n1)c1ccc(F)cc1.
What is the InChIKey of 7-[(N-ethyl-4-fluoroanilino)methyl]-2-methyl-3-(1,3-oxazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is VMUSKYDWJGLXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2S/c1-3-23(15-6-4-13(20)5-7-15)11-14-10-16(25)24-17(18-21-8-9-26-18)12(2)27-19(24)22-14/h4-10H,3,11H2,1-2H3.
What are the key properties of 7-[(N-ethyl-4-fluoroanilino)methyl]-2-methyl-3-(1,3-oxazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(N-ethyl-4-fluoroanilino)methyl]-2-methyl-3-(1,3-oxazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 384.44 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(N-ethyl-4-fluoroanilino)methyl]-2-methyl-3-(1,3-oxazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 118009520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).