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

C18H16FN5O2S — CID 67349252

IUPAC3-[5-[2-(4-fluoroanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-oxazolidin-2-one
SMILESCc1nc(N2C(=O)OCC2C)sc1-c1ccnc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C18H16FN5O2S/c1-10-9-26-18(25)24(10)17-21-11(2)15(27-17)14-7-8-20-16(23-14)22-13-5-3-12(19)4-6-13/h3-8,10H,9H2,1-2H3,(H,20,22,23)
InChIKeyXMSQNIGPZIPKLU-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.14
Rot. Bonds4

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

3-[5-[2-(4-fluoroanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 67349252) has the molecular formula C18H16FN5O2S and a molecular weight of 385.42 g/mol. Its IUPAC name is 3-[5-[2-(4-fluoroanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[5-[2-(4-fluoroanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID67349252
Molecular FormulaC18H16FN5O2S
Molecular Weight385.42 g/mol
Exact Mass385.10
IUPAC Name3-[5-[2-(4-fluoroanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-oxazolidin-2-one
SMILESCc1nc(N2C(=O)OCC2C)sc1-c1ccnc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C18H16FN5O2S/c1-10-9-26-18(25)24(10)17-21-11(2)15(27-17)14-7-8-20-16(23-14)22-13-5-3-12(19)4-6-13/h3-8,10H,9H2,1-2H3,(H,20,22,23)
InChIKeyXMSQNIGPZIPKLU-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[5-(2-anilinopyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one
CID 67348933
5-[2-(4-fluoroanilino)pyrimidin-4-yl]-4-methyl-N-prop-2-enyl-1,3-thiazol-2-amine
CID 10427423
N-(6-chloro-3-pyridinyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine
CID 11255595
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-piperazin-1-ylphenyl)pyrimidin-2-amine
CID 10090332
4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenol
CID 6539292
N-[5-[2-(4-chloroanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]formamide
CID 142894175
4-methyl-N-phenyl-5-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 141131245
4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine;ethane
CID 143143317
N-ethyl-4-methyl-5-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 24752189
N-(3,4-difluorophenyl)-4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrimidin-2-amine
CID 10091163
6-[2-(4-fluoroanilino)pyrimidin-4-yl]-4H-1,4-benzoxazin-3-one
CID 10042614
2-[4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-ethylanilino]ethanol
CID 10177145

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(4-fluoroanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[5-[2-(4-fluoroanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-oxazolidin-2-one (CID 67349252) is 3-[5-[2-(4-fluoroanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[5-[2-(4-fluoroanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[5-[2-(4-fluoroanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-oxazolidin-2-one is Cc1nc(N2C(=O)OCC2C)sc1-c1ccnc(Nc2ccc(F)cc2)n1.
What is the InChIKey of 3-[5-[2-(4-fluoroanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is XMSQNIGPZIPKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2S/c1-10-9-26-18(25)24(10)17-21-11(2)15(27-17)14-7-8-20-16(23-14)22-13-5-3-12(19)4-6-13/h3-8,10H,9H2,1-2H3,(H,20,22,23).
What are the key properties of 3-[5-[2-(4-fluoroanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-oxazolidin-2-one?
3-[5-[2-(4-fluoroanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 385.42 g/mol, XLogP of 4.14, 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-fluoroanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 67349252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).