2-[6-methyl-2-[[(3R)-1-methylpiperidin-3-yl]amino]imidazo[4,5-d][1,3]thiazol-5-yl]-5-(trifluoromethyl)phenol

C18H20F3N5OS — CID 172554987

IUPAC2-[6-methyl-2-[[(3R)-1-methylpiperidin-3-yl]amino]imidazo[4,5-d][1,3]thiazol-5-yl]-5-(trifluoromethyl)phenol
SMILESCN1CCC[C@@H](Nc2nc3nc(-c4ccc(C(F)(F)F)cc4O)n(C)c3s2)C1
InChIInChI=1S/C18H20F3N5OS/c1-25-7-3-4-11(9-25)22-17-24-14-16(28-17)26(2)15(23-14)12-6-5-10(8-13(12)27)18(19,20)21/h5-6,8,11,27H,3-4,7,9H2,1-2H3,(H,22,24)/t11-/m1/s1
InChIKeyFQGNYCBKEURGQG-LLVKDONJSA-N
MW411.45 g/mol
LogP3.93
Rot. Bonds3

About 2-[6-methyl-2-[[(3R)-1-methylpiperidin-3-yl]amino]imidazo[4,5-d][1,3]thiazol-5-yl]-5-(trifluoromethyl)phenol

2-[6-methyl-2-[[(3R)-1-methylpiperidin-3-yl]amino]imidazo[4,5-d][1,3]thiazol-5-yl]-5-(trifluoromethyl)phenol (PubChem CID 172554987) has the molecular formula C18H20F3N5OS and a molecular weight of 411.45 g/mol. Its IUPAC name is 2-[6-methyl-2-[[(3R)-1-methylpiperidin-3-yl]amino]imidazo[4,5-d][1,3]thiazol-5-yl]-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-[6-methyl-2-[[(3R)-1-methylpiperidin-3-yl]amino]imidazo[4,5-d][1,3]thiazol-5-yl]-5-(trifluoromethyl)phenol
PubChem CID172554987
Molecular FormulaC18H20F3N5OS
Molecular Weight411.45 g/mol
Exact Mass411.13
IUPAC Name2-[6-methyl-2-[[(3R)-1-methylpiperidin-3-yl]amino]imidazo[4,5-d][1,3]thiazol-5-yl]-5-(trifluoromethyl)phenol
SMILESCN1CCC[C@@H](Nc2nc3nc(-c4ccc(C(F)(F)F)cc4O)n(C)c3s2)C1
InChIInChI=1S/C18H20F3N5OS/c1-25-7-3-4-11(9-25)22-17-24-14-16(28-17)26(2)15(23-14)12-6-5-10(8-13(12)27)18(19,20)21/h5-6,8,11,27H,3-4,7,9H2,1-2H3,(H,22,24)/t11-/m1/s1
InChIKeyFQGNYCBKEURGQG-LLVKDONJSA-N
XLogP3.93
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[6-methyl-2-[[(3R)-1-methylpiperidin-3-yl]amino]imidazo[4,5-d][1,3]thiazol-5-yl]-5-(trifluoromethyl)phenol with MolForge

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

Launch Full Analysis

Related Compounds

2-[5-[(1-methylpiperidin-3-yl)amino]-1-propan-2-ylimidazo[4,5-b]pyridin-2-yl]-5-(trifluoromethyl)phenol
CID 171400213
3-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-methyl-6-[(1-methylpiperidin-3-yl)amino]-1,2,4-triazin-5-one;2,2,2-trifluoroacetic acid
CID 174227768
2-[4-[[(3S)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]-5-(trifluoromethyl)phenol
CID 171852579
2-[7-[(1-methylpiperidin-3-yl)amino]thieno[2,3-d]pyridazin-4-yl]-5-(trifluoromethyl)phenol
CID 166460017
2-[1-methyl-7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrrolo[2,3-d]pyridazin-4-yl]-5-(trifluoromethyl)phenol
CID 170260018
2-[5-fluoro-4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]-5-(trifluoromethyl)phenol
CID 170259637
2-[4-[(1-methylpiperidin-3-yl)amino]furo[2,3-d]pyridazin-7-yl]-5-(trifluoromethyl)phenol
CID 170157149
2-[1-[[(3R)-1-methylpiperidin-3-yl]amino]pyrido[3,4-d]pyridazin-4-yl]-5-(trifluoromethyl)phenol
CID 166518693
4-methyl-N-(1-methylpiperidin-3-yl)-1,3-benzothiazol-2-amine
CID 79147278
6-chloro-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715566
2-[3-[[(3R)-1-cyclopropylpiperidin-3-yl]amino]-5-methyl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol
CID 166099156
formic acid;2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]imidazo[1,5-d][1,2,4]triazin-1-yl]-5-(trifluoromethyl)phenol
CID 175599350

Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-2-[[(3R)-1-methylpiperidin-3-yl]amino]imidazo[4,5-d][1,3]thiazol-5-yl]-5-(trifluoromethyl)phenol?
The IUPAC name of 2-[6-methyl-2-[[(3R)-1-methylpiperidin-3-yl]amino]imidazo[4,5-d][1,3]thiazol-5-yl]-5-(trifluoromethyl)phenol (CID 172554987) is 2-[6-methyl-2-[[(3R)-1-methylpiperidin-3-yl]amino]imidazo[4,5-d][1,3]thiazol-5-yl]-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-[6-methyl-2-[[(3R)-1-methylpiperidin-3-yl]amino]imidazo[4,5-d][1,3]thiazol-5-yl]-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-[6-methyl-2-[[(3R)-1-methylpiperidin-3-yl]amino]imidazo[4,5-d][1,3]thiazol-5-yl]-5-(trifluoromethyl)phenol is CN1CCC[C@@H](Nc2nc3nc(-c4ccc(C(F)(F)F)cc4O)n(C)c3s2)C1.
What is the InChIKey of 2-[6-methyl-2-[[(3R)-1-methylpiperidin-3-yl]amino]imidazo[4,5-d][1,3]thiazol-5-yl]-5-(trifluoromethyl)phenol?
The InChIKey is FQGNYCBKEURGQG-LLVKDONJSA-N. The full InChI is InChI=1S/C18H20F3N5OS/c1-25-7-3-4-11(9-25)22-17-24-14-16(28-17)26(2)15(23-14)12-6-5-10(8-13(12)27)18(19,20)21/h5-6,8,11,27H,3-4,7,9H2,1-2H3,(H,22,24)/t11-/m1/s1.
What are the key properties of 2-[6-methyl-2-[[(3R)-1-methylpiperidin-3-yl]amino]imidazo[4,5-d][1,3]thiazol-5-yl]-5-(trifluoromethyl)phenol?
2-[6-methyl-2-[[(3R)-1-methylpiperidin-3-yl]amino]imidazo[4,5-d][1,3]thiazol-5-yl]-5-(trifluoromethyl)phenol has a molecular weight of 411.45 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-2-[[(3R)-1-methylpiperidin-3-yl]amino]imidazo[4,5-d][1,3]thiazol-5-yl]-5-(trifluoromethyl)phenol is sourced from PubChem (CID 172554987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).