1,1,1-trifluoro-2-[5-[3-methyl-5-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]propan-2-ol

C22H24F3N5O2S — CID 67249640

IUPAC1,1,1-trifluoro-2-[5-[3-methyl-5-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]propan-2-ol
SMILESCc1cc(Nc2nccc(OC3CCNCC3)n2)cc(-c2cnc(C(C)(O)C(F)(F)F)s2)c1
InChIInChI=1S/C22H24F3N5O2S/c1-13-9-14(17-12-28-19(33-17)21(2,31)22(23,24)25)11-15(10-13)29-20-27-8-5-18(30-20)32-16-3-6-26-7-4-16/h5,8-12,16,26,31H,3-4,6-7H2,1-2H3,(H,27,29,30)
InChIKeyWYGRGTWUKCZCHF-UHFFFAOYSA-N
MW479.53 g/mol
LogP4.55
Rot. Bonds6

About 1,1,1-trifluoro-2-[5-[3-methyl-5-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]propan-2-ol

1,1,1-trifluoro-2-[5-[3-methyl-5-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]propan-2-ol (PubChem CID 67249640) has the molecular formula C22H24F3N5O2S and a molecular weight of 479.53 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[5-[3-methyl-5-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[5-[3-methyl-5-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]propan-2-ol
PubChem CID67249640
Molecular FormulaC22H24F3N5O2S
Molecular Weight479.53 g/mol
Exact Mass479.16
IUPAC Name1,1,1-trifluoro-2-[5-[3-methyl-5-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]propan-2-ol
SMILESCc1cc(Nc2nccc(OC3CCNCC3)n2)cc(-c2cnc(C(C)(O)C(F)(F)F)s2)c1
InChIInChI=1S/C22H24F3N5O2S/c1-13-9-14(17-12-28-19(33-17)21(2,31)22(23,24)25)11-15(10-13)29-20-27-8-5-18(30-20)32-16-3-6-26-7-4-16/h5,8-12,16,26,31H,3-4,6-7H2,1-2H3,(H,27,29,30)
InChIKeyWYGRGTWUKCZCHF-UHFFFAOYSA-N
XLogP4.55
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.53
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[5-[3-methyl-5-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-[5-[3-methyl-5-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]propan-2-ol (CID 67249640) is 1,1,1-trifluoro-2-[5-[3-methyl-5-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-[5-[3-methyl-5-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-[5-[3-methyl-5-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]propan-2-ol is Cc1cc(Nc2nccc(OC3CCNCC3)n2)cc(-c2cnc(C(C)(O)C(F)(F)F)s2)c1.
What is the InChIKey of 1,1,1-trifluoro-2-[5-[3-methyl-5-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]propan-2-ol?
The InChIKey is WYGRGTWUKCZCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O2S/c1-13-9-14(17-12-28-19(33-17)21(2,31)22(23,24)25)11-15(10-13)29-20-27-8-5-18(30-20)32-16-3-6-26-7-4-16/h5,8-12,16,26,31H,3-4,6-7H2,1-2H3,(H,27,29,30).
What are the key properties of 1,1,1-trifluoro-2-[5-[3-methyl-5-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]propan-2-ol?
1,1,1-trifluoro-2-[5-[3-methyl-5-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]propan-2-ol has a molecular weight of 479.53 g/mol, XLogP of 4.55, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[5-[3-methyl-5-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]propan-2-ol is sourced from PubChem (CID 67249640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).