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

C19H18FN5O2S — CID 67347097

IUPAC3-[5-[2-(4-fluoro-3-methylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-oxazolidin-2-one
SMILESCc1cc(Nc2nccc(-c3sc(N4C(=O)OCC4C)nc3C)n2)ccc1F
InChIInChI=1S/C19H18FN5O2S/c1-10-8-13(4-5-14(10)20)23-17-21-7-6-15(24-17)16-12(3)22-18(28-16)25-11(2)9-27-19(25)26/h4-8,11H,9H2,1-3H3,(H,21,23,24)
InChIKeyBCABQIFVADOSLS-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.44
Rot. Bonds4

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

3-[5-[2-(4-fluoro-3-methylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 67347097) has the molecular formula C19H18FN5O2S and a molecular weight of 399.45 g/mol. Its IUPAC name is 3-[5-[2-(4-fluoro-3-methylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-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]-4-methyl-1,3-oxazolidin-2-one
PubChem CID67347097
Molecular FormulaC19H18FN5O2S
Molecular Weight399.45 g/mol
Exact Mass399.12
IUPAC Name3-[5-[2-(4-fluoro-3-methylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-oxazolidin-2-one
SMILESCc1cc(Nc2nccc(-c3sc(N4C(=O)OCC4C)nc3C)n2)ccc1F
InChIInChI=1S/C19H18FN5O2S/c1-10-8-13(4-5-14(10)20)23-17-21-7-6-15(24-17)16-12(3)22-18(28-16)25-11(2)9-27-19(25)26/h4-8,11H,9H2,1-3H3,(H,21,23,24)
InChIKeyBCABQIFVADOSLS-UHFFFAOYSA-N
XLogP4.44
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3-Aminomethyl-phenyl)-[4-(4-methyl-2-methylamino-thiazol-5-yl)-pyrimidin-2-yl]-amine
CID 10042059
N-{3-[4-(4-methyl-2-methylamino-thiazol-5-yl)-pyrimidin-2-ylamino]-benzyl}-acetamide
CID 10361685
(3-Aminomethyl-phenyl)-[4-(2-ethylamino-4-methyl-thiazol-5-yl)-pyrimidin-2-yl]-amine
CID 11724828
N-(4-(4-(2-(Ethylamino)-4-methylthiazol-5-yl)pyrimidin-2-ylamino)benzyl)acetamide
CID 11646645
3-[4-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]phenyl]-4H-1,2,4-oxadiazol-5-one
CID 162757573
4-(4-Fluorophenyl)-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 155528867
5-[5-ethenyl-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 164613404
N,4-dimethyl-5-[5-methyl-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 164624460
N-(3-Methylphenyl)-5-(4-morpholinylmethyl)-4-(4-pyridinyl)-1,3-thiazol-2-amine
CID 44225117
US8759366, tert-butyl 3-hydroxy-3-[5-(3-methyl-5-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}-phenyl)-1,3-thiazol-2-yl]azetidine-1-carboxylate
CID 67258591
US8759366, 3-hydroxy-3-[5-(3-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}phenyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
CID 67431797
US9546173, cmpd 89
CID 73504545

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]-4-methyl-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]-4-methyl-1,3-oxazolidin-2-one (CID 67347097) is 3-[5-[2-(4-fluoro-3-methylanilino)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-fluoro-3-methylanilino)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-fluoro-3-methylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-oxazolidin-2-one is Cc1cc(Nc2nccc(-c3sc(N4C(=O)OCC4C)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]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is BCABQIFVADOSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O2S/c1-10-8-13(4-5-14(10)20)23-17-21-7-6-15(24-17)16-12(3)22-18(28-16)25-11(2)9-27-19(25)26/h4-8,11H,9H2,1-3H3,(H,21,23,24).
What are the key properties of 3-[5-[2-(4-fluoro-3-methylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-oxazolidin-2-one?
3-[5-[2-(4-fluoro-3-methylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 399.45 g/mol, XLogP of 4.44, 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]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 67347097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).