3-[5-[2-(4-fluoro-3-methylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one

C18H16FN5O2S — CID 67347403

IUPAC3-[5-[2-(4-fluoro-3-methylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one
SMILESCc1cc(Nc2nccc(-c3sc(N4CCOC4=O)nc3C)n2)ccc1F
InChIInChI=1S/C18H16FN5O2S/c1-10-9-12(3-4-13(10)19)22-16-20-6-5-14(23-16)15-11(2)21-17(27-15)24-7-8-26-18(24)25/h3-6,9H,7-8H2,1-2H3,(H,20,22,23)
InChIKeyIDZULAQHLJKEBH-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.06
Rot. Bonds4

About 3-[5-[2-(4-fluoro-3-methylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one

3-[5-[2-(4-fluoro-3-methylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one (PubChem CID 67347403) has the molecular formula C18H16FN5O2S and a molecular weight of 385.42 g/mol. Its IUPAC name is 3-[5-[2-(4-fluoro-3-methylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[5-[2-(4-fluoro-3-methylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one
PubChem CID67347403
Molecular FormulaC18H16FN5O2S
Molecular Weight385.42 g/mol
Exact Mass385.10
IUPAC Name3-[5-[2-(4-fluoro-3-methylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one
SMILESCc1cc(Nc2nccc(-c3sc(N4CCOC4=O)nc3C)n2)ccc1F
InChIInChI=1S/C18H16FN5O2S/c1-10-9-12(3-4-13(10)19)22-16-20-6-5-14(23-16)15-11(2)21-17(27-15)24-7-8-26-18(24)25/h3-6,9H,7-8H2,1-2H3,(H,20,22,23)
InChIKeyIDZULAQHLJKEBH-UHFFFAOYSA-N
XLogP4.06
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(4-fluoro-3-methylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[5-[2-(4-fluoro-3-methylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one (CID 67347403) is 3-[5-[2-(4-fluoro-3-methylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[5-[2-(4-fluoro-3-methylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[5-[2-(4-fluoro-3-methylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one is Cc1cc(Nc2nccc(-c3sc(N4CCOC4=O)nc3C)n2)ccc1F.
What is the InChIKey of 3-[5-[2-(4-fluoro-3-methylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is IDZULAQHLJKEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2S/c1-10-9-12(3-4-13(10)19)22-16-20-6-5-14(23-16)15-11(2)21-17(27-15)24-7-8-26-18(24)25/h3-6,9H,7-8H2,1-2H3,(H,20,22,23).
What are the key properties of 3-[5-[2-(4-fluoro-3-methylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one?
3-[5-[2-(4-fluoro-3-methylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 385.42 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-(4-fluoro-3-methylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 67347403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).