pyridin-3-yl-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methanol

C20H14F3N5OS — CID 67431083

IUPACpyridin-3-yl-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methanol
SMILESOC(c1cccnc1)c1ncc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)s1
InChIInChI=1S/C20H14F3N5OS/c21-20(22,23)16-6-8-25-19(28-16)27-14-5-1-3-12(9-14)15-11-26-18(30-15)17(29)13-4-2-7-24-10-13/h1-11,17,29H,(H,25,27,28)
InChIKeyPXNXKEKRQYTOAH-UHFFFAOYSA-N
MW429.43 g/mol
LogP4.84
Rot. Bonds5

About pyridin-3-yl-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methanol

pyridin-3-yl-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methanol (PubChem CID 67431083) has the molecular formula C20H14F3N5OS and a molecular weight of 429.43 g/mol. Its IUPAC name is pyridin-3-yl-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Namepyridin-3-yl-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methanol
PubChem CID67431083
Molecular FormulaC20H14F3N5OS
Molecular Weight429.43 g/mol
Exact Mass429.09
IUPAC Namepyridin-3-yl-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methanol
SMILESOC(c1cccnc1)c1ncc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)s1
InChIInChI=1S/C20H14F3N5OS/c21-20(22,23)16-6-8-25-19(28-16)27-14-5-1-3-12(9-14)15-11-26-18(30-15)17(29)13-4-2-7-24-10-13/h1-11,17,29H,(H,25,27,28)
InChIKeyPXNXKEKRQYTOAH-UHFFFAOYSA-N
XLogP4.84
TPSA83.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.43
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze pyridin-3-yl-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methanol?
The IUPAC name of pyridin-3-yl-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methanol (CID 67431083) is pyridin-3-yl-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for pyridin-3-yl-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methanol?
The canonical SMILES for pyridin-3-yl-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methanol is OC(c1cccnc1)c1ncc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)s1.
What is the InChIKey of pyridin-3-yl-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methanol?
The InChIKey is PXNXKEKRQYTOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5OS/c21-20(22,23)16-6-8-25-19(28-16)27-14-5-1-3-12(9-14)15-11-26-18(30-15)17(29)13-4-2-7-24-10-13/h1-11,17,29H,(H,25,27,28).
What are the key properties of pyridin-3-yl-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methanol?
pyridin-3-yl-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methanol has a molecular weight of 429.43 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 67431083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).