4-hydroxy-2,2-dimethyl-5-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,3-dihydropyridin-6-one

C18H17F3N2O2S — CID 54688554

IUPAC4-hydroxy-2,2-dimethyl-5-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,3-dihydropyridin-6-one
SMILESCc1sc(-c2ccc(C(F)(F)F)cc2)nc1C1=C(O)CC(C)(C)NC1=O
InChIInChI=1S/C18H17F3N2O2S/c1-9-14(13-12(24)8-17(2,3)23-15(13)25)22-16(26-9)10-4-6-11(7-5-10)18(19,20)21/h4-7,24H,8H2,1-3H3,(H,23,25)
InChIKeyJRTJFOHTCOBARV-UHFFFAOYSA-N
MW382.41 g/mol
LogP4.70
Rot. Bonds2

About 4-hydroxy-2,2-dimethyl-5-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,3-dihydropyridin-6-one

4-hydroxy-2,2-dimethyl-5-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,3-dihydropyridin-6-one (PubChem CID 54688554) has the molecular formula C18H17F3N2O2S and a molecular weight of 382.41 g/mol. Its IUPAC name is 4-hydroxy-2,2-dimethyl-5-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,3-dihydropyridin-6-one.

Molecular Properties

Compound Name4-hydroxy-2,2-dimethyl-5-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,3-dihydropyridin-6-one
PubChem CID54688554
Molecular FormulaC18H17F3N2O2S
Molecular Weight382.41 g/mol
Exact Mass382.10
IUPAC Name4-hydroxy-2,2-dimethyl-5-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,3-dihydropyridin-6-one
SMILESCc1sc(-c2ccc(C(F)(F)F)cc2)nc1C1=C(O)CC(C)(C)NC1=O
InChIInChI=1S/C18H17F3N2O2S/c1-9-14(13-12(24)8-17(2,3)23-15(13)25)22-16(26-9)10-4-6-11(7-5-10)18(19,20)21/h4-7,24H,8H2,1-3H3,(H,23,25)
InChIKeyJRTJFOHTCOBARV-UHFFFAOYSA-N
XLogP4.70
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,2-dimethyl-5-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,3-dihydropyridin-6-one?
The IUPAC name of 4-hydroxy-2,2-dimethyl-5-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,3-dihydropyridin-6-one (CID 54688554) is 4-hydroxy-2,2-dimethyl-5-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,3-dihydropyridin-6-one.
What is the SMILES notation for 4-hydroxy-2,2-dimethyl-5-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,3-dihydropyridin-6-one?
The canonical SMILES for 4-hydroxy-2,2-dimethyl-5-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,3-dihydropyridin-6-one is Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1C1=C(O)CC(C)(C)NC1=O.
What is the InChIKey of 4-hydroxy-2,2-dimethyl-5-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,3-dihydropyridin-6-one?
The InChIKey is JRTJFOHTCOBARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2S/c1-9-14(13-12(24)8-17(2,3)23-15(13)25)22-16(26-9)10-4-6-11(7-5-10)18(19,20)21/h4-7,24H,8H2,1-3H3,(H,23,25).
What are the key properties of 4-hydroxy-2,2-dimethyl-5-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,3-dihydropyridin-6-one?
4-hydroxy-2,2-dimethyl-5-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,3-dihydropyridin-6-one has a molecular weight of 382.41 g/mol, XLogP of 4.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,2-dimethyl-5-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,3-dihydropyridin-6-one is sourced from PubChem (CID 54688554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).