4-hydroxy-2,2-dimethyl-4-[5-[3-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid

C24H25F3N4O3S — CID 86291366

IUPAC4-hydroxy-2,2-dimethyl-4-[5-[3-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid
SMILESCc1cc(Nc2cncc(C(F)(F)F)n2)cc(-c2cnc(C3(O)CCC(C(=O)O)C(C)(C)C3)s2)c1
InChIInChI=1S/C24H25F3N4O3S/c1-13-6-14(8-15(7-13)30-19-11-28-10-18(31-19)24(25,26)27)17-9-29-21(35-17)23(34)5-4-16(20(32)33)22(2,3)12-23/h6-11,16,34H,4-5,12H2,1-3H3,(H,30,31)(H,32,33)
InChIKeyWHYQFNSMMOXMHV-UHFFFAOYSA-N
MW506.55 g/mol
LogP5.77
Rot. Bonds5

About 4-hydroxy-2,2-dimethyl-4-[5-[3-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid

4-hydroxy-2,2-dimethyl-4-[5-[3-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid (PubChem CID 86291366) has the molecular formula C24H25F3N4O3S and a molecular weight of 506.55 g/mol. Its IUPAC name is 4-hydroxy-2,2-dimethyl-4-[5-[3-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-2,2-dimethyl-4-[5-[3-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid
PubChem CID86291366
Molecular FormulaC24H25F3N4O3S
Molecular Weight506.55 g/mol
Exact Mass506.16
IUPAC Name4-hydroxy-2,2-dimethyl-4-[5-[3-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid
SMILESCc1cc(Nc2cncc(C(F)(F)F)n2)cc(-c2cnc(C3(O)CCC(C(=O)O)C(C)(C)C3)s2)c1
InChIInChI=1S/C24H25F3N4O3S/c1-13-6-14(8-15(7-13)30-19-11-28-10-18(31-19)24(25,26)27)17-9-29-21(35-17)23(34)5-4-16(20(32)33)22(2,3)12-23/h6-11,16,34H,4-5,12H2,1-3H3,(H,30,31)(H,32,33)
InChIKeyWHYQFNSMMOXMHV-UHFFFAOYSA-N
XLogP5.77
TPSA108.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.55
LogP ≤ 55.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-hydroxy-2,2-dimethyl-4-[5-[3-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid 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 4-hydroxy-2,2-dimethyl-4-[5-[3-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-hydroxy-2,2-dimethyl-4-[5-[3-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid (CID 86291366) is 4-hydroxy-2,2-dimethyl-4-[5-[3-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-hydroxy-2,2-dimethyl-4-[5-[3-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-hydroxy-2,2-dimethyl-4-[5-[3-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid is Cc1cc(Nc2cncc(C(F)(F)F)n2)cc(-c2cnc(C3(O)CCC(C(=O)O)C(C)(C)C3)s2)c1.
What is the InChIKey of 4-hydroxy-2,2-dimethyl-4-[5-[3-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid?
The InChIKey is WHYQFNSMMOXMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O3S/c1-13-6-14(8-15(7-13)30-19-11-28-10-18(31-19)24(25,26)27)17-9-29-21(35-17)23(34)5-4-16(20(32)33)22(2,3)12-23/h6-11,16,34H,4-5,12H2,1-3H3,(H,30,31)(H,32,33).
What are the key properties of 4-hydroxy-2,2-dimethyl-4-[5-[3-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid?
4-hydroxy-2,2-dimethyl-4-[5-[3-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid has a molecular weight of 506.55 g/mol, XLogP of 5.77, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,2-dimethyl-4-[5-[3-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 86291366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).