3-hydroxy-3-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide

C20H19F3N6O2S — CID 67260991

IUPAC3-hydroxy-3-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
SMILESCc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C3(O)CCN(C(N)=O)C3)s2)c1
InChIInChI=1S/C20H19F3N6O2S/c1-11-6-12(8-13(7-11)27-18-25-4-2-15(28-18)20(21,22)23)14-9-26-16(32-14)19(31)3-5-29(10-19)17(24)30/h2,4,6-9,31H,3,5,10H2,1H3,(H2,24,30)(H,25,27,28)
InChIKeyNIJASURFDIQFHU-UHFFFAOYSA-N
MW464.47 g/mol
LogP3.64
Rot. Bonds4

About 3-hydroxy-3-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide

3-hydroxy-3-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide (PubChem CID 67260991) has the molecular formula C20H19F3N6O2S and a molecular weight of 464.47 g/mol. Its IUPAC name is 3-hydroxy-3-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-3-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
PubChem CID67260991
Molecular FormulaC20H19F3N6O2S
Molecular Weight464.47 g/mol
Exact Mass464.12
IUPAC Name3-hydroxy-3-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
SMILESCc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C3(O)CCN(C(N)=O)C3)s2)c1
InChIInChI=1S/C20H19F3N6O2S/c1-11-6-12(8-13(7-11)27-18-25-4-2-15(28-18)20(21,22)23)14-9-26-16(32-14)19(31)3-5-29(10-19)17(24)30/h2,4,6-9,31H,3,5,10H2,1H3,(H2,24,30)(H,25,27,28)
InChIKeyNIJASURFDIQFHU-UHFFFAOYSA-N
XLogP3.64
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.47
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-hydroxy-3-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide (CID 67260991) is 3-hydroxy-3-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-hydroxy-3-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-hydroxy-3-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide is Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C3(O)CCN(C(N)=O)C3)s2)c1.
What is the InChIKey of 3-hydroxy-3-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is NIJASURFDIQFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O2S/c1-11-6-12(8-13(7-11)27-18-25-4-2-15(28-18)20(21,22)23)14-9-26-16(32-14)19(31)3-5-29(10-19)17(24)30/h2,4,6-9,31H,3,5,10H2,1H3,(H2,24,30)(H,25,27,28).
What are the key properties of 3-hydroxy-3-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide?
3-hydroxy-3-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 464.47 g/mol, XLogP of 3.64, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 67260991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).