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

C19H16F3N5O2S — CID 67431959

IUPAC3-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methyl]-1,3-oxazolidin-2-one
SMILESCc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(CN3CCOC3=O)s2)c1
InChIInChI=1S/C19H16F3N5O2S/c1-11-6-12(14-9-24-16(30-14)10-27-4-5-29-18(27)28)8-13(7-11)25-17-23-3-2-15(26-17)19(20,21)22/h2-3,6-9H,4-5,10H2,1H3,(H,23,25,26)
InChIKeyYXYCOUOPNJCVLF-UHFFFAOYSA-N
MW435.43 g/mol
LogP4.62
Rot. Bonds5

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

3-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 67431959) has the molecular formula C19H16F3N5O2S and a molecular weight of 435.43 g/mol. Its IUPAC name is 3-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID67431959
Molecular FormulaC19H16F3N5O2S
Molecular Weight435.43 g/mol
Exact Mass435.10
IUPAC Name3-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methyl]-1,3-oxazolidin-2-one
SMILESCc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(CN3CCOC3=O)s2)c1
InChIInChI=1S/C19H16F3N5O2S/c1-11-6-12(14-9-24-16(30-14)10-27-4-5-29-18(27)28)8-13(7-11)25-17-23-3-2-15(26-17)19(20,21)22/h2-3,6-9H,4-5,10H2,1H3,(H,23,25,26)
InChIKeyYXYCOUOPNJCVLF-UHFFFAOYSA-N
XLogP4.62
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methyl]-1,3-oxazolidin-2-one (CID 67431959) is 3-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methyl]-1,3-oxazolidin-2-one is Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(CN3CCOC3=O)s2)c1.
What is the InChIKey of 3-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is YXYCOUOPNJCVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O2S/c1-11-6-12(14-9-24-16(30-14)10-27-4-5-29-18(27)28)8-13(7-11)25-17-23-3-2-15(26-17)19(20,21)22/h2-3,6-9H,4-5,10H2,1H3,(H,23,25,26).
What are the key properties of 3-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methyl]-1,3-oxazolidin-2-one?
3-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 435.43 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 67431959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).