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

C17H15N5O2S — CID 67348933

IUPAC3-[5-(2-anilinopyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one
SMILESCc1nc(N2CCOC2=O)sc1-c1ccnc(Nc2ccccc2)n1
InChIInChI=1S/C17H15N5O2S/c1-11-14(25-16(19-11)22-9-10-24-17(22)23)13-7-8-18-15(21-13)20-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,18,20,21)
InChIKeyRJJUWYJUHIYNPW-UHFFFAOYSA-N
MW353.41 g/mol
LogP3.61
Rot. Bonds4

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

3-[5-(2-anilinopyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one (PubChem CID 67348933) has the molecular formula C17H15N5O2S and a molecular weight of 353.41 g/mol. Its IUPAC name is 3-[5-(2-anilinopyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[5-(2-anilinopyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one
PubChem CID67348933
Molecular FormulaC17H15N5O2S
Molecular Weight353.41 g/mol
Exact Mass353.09
IUPAC Name3-[5-(2-anilinopyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one
SMILESCc1nc(N2CCOC2=O)sc1-c1ccnc(Nc2ccccc2)n1
InChIInChI=1S/C17H15N5O2S/c1-11-14(25-16(19-11)22-9-10-24-17(22)23)13-7-8-18-15(21-13)20-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,18,20,21)
InChIKeyRJJUWYJUHIYNPW-UHFFFAOYSA-N
XLogP3.61
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[5-[2-(4-fluoroanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-oxazolidin-2-one
CID 67349252
4-methyl-N-phenyl-5-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 141131245
4-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-N-phenylpyrimidin-2-amine
CID 141131257
4-methyl-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-N-(2-phenylethyl)-1,3-thiazol-2-amine
CID 11540100
3-[8-(3-methoxyanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]-1,3-oxazolidin-2-one
CID 67346740
4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenol
CID 6539292
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-piperazin-1-ylphenyl)pyrimidin-2-amine
CID 10090332
3-[8-(3-chloroanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]-1,3-oxazolidin-2-one
CID 67346874
N-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]methanesulfonamide
CID 67348792
CID 89370521
CID 89370521
N,4-dimethyl-5-[2-(3-methylanilino)pyrimidin-4-yl]-N-(2-methylphenyl)-1,3-thiazol-2-amine
CID 54765908
4-(5-ethylthiophen-2-yl)-N-phenylpyrimidin-2-amine
CID 104609503

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-anilinopyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[5-(2-anilinopyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one (CID 67348933) is 3-[5-(2-anilinopyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[5-(2-anilinopyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[5-(2-anilinopyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one is Cc1nc(N2CCOC2=O)sc1-c1ccnc(Nc2ccccc2)n1.
What is the InChIKey of 3-[5-(2-anilinopyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is RJJUWYJUHIYNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2S/c1-11-14(25-16(19-11)22-9-10-24-17(22)23)13-7-8-18-15(21-13)20-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,18,20,21).
What are the key properties of 3-[5-(2-anilinopyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one?
3-[5-(2-anilinopyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 353.41 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-anilinopyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 67348933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).