1-[5-[3-[[4-(2-methoxyethoxy)pyrimidin-2-yl]amino]-5-methylphenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid

C24H28N4O4S — CID 123210602

IUPAC1-[5-[3-[[4-(2-methoxyethoxy)pyrimidin-2-yl]amino]-5-methylphenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid
SMILESCOCCOc1ccnc(Nc2cc(C)cc(-c3cnc(C4(C(=O)O)CCCCC4)s3)c2)n1
InChIInChI=1S/C24H28N4O4S/c1-16-12-17(19-15-26-21(33-19)24(22(29)30)7-4-3-5-8-24)14-18(13-16)27-23-25-9-6-20(28-23)32-11-10-31-2/h6,9,12-15H,3-5,7-8,10-11H2,1-2H3,(H,29,30)(H,25,27,28)
InChIKeyWAQJGAHXUZNFOA-UHFFFAOYSA-N
MW468.58 g/mol
LogP4.96
Rot. Bonds9

About 1-[5-[3-[[4-(2-methoxyethoxy)pyrimidin-2-yl]amino]-5-methylphenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid

1-[5-[3-[[4-(2-methoxyethoxy)pyrimidin-2-yl]amino]-5-methylphenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid (PubChem CID 123210602) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is 1-[5-[3-[[4-(2-methoxyethoxy)pyrimidin-2-yl]amino]-5-methylphenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[5-[3-[[4-(2-methoxyethoxy)pyrimidin-2-yl]amino]-5-methylphenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid
PubChem CID123210602
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC Name1-[5-[3-[[4-(2-methoxyethoxy)pyrimidin-2-yl]amino]-5-methylphenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid
SMILESCOCCOc1ccnc(Nc2cc(C)cc(-c3cnc(C4(C(=O)O)CCCCC4)s3)c2)n1
InChIInChI=1S/C24H28N4O4S/c1-16-12-17(19-15-26-21(33-19)24(22(29)30)7-4-3-5-8-24)14-18(13-16)27-23-25-9-6-20(28-23)32-11-10-31-2/h6,9,12-15H,3-5,7-8,10-11H2,1-2H3,(H,29,30)(H,25,27,28)
InChIKeyWAQJGAHXUZNFOA-UHFFFAOYSA-N
XLogP4.96
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[5-[3-[[4-(2-methoxyethoxy)pyrimidin-2-yl]amino]-5-methylphenyl]-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

Related Compounds

4-hydroxy-4-[5-[3-[[4-(3-methoxypropoxy)pyrimidin-2-yl]amino]-5-methylphenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid
CID 67432211
cis-(1S,4R)-4-hydroxy-4-[5-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]-2,2-dimethylcyclohexane-1-carboxamide
CID 67431483
1-[5-[3-methyl-5-[[4-(oxolan-3-ylmethoxy)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclobutan-1-ol
CID 67432324
tert-butyl 1-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxylate
CID 58456281
4-[[2-[3-[2-(1-hydroxycyclobutyl)-1,3-thiazol-5-yl]-5-methylanilino]pyrimidin-4-yl]oxymethyl]-1-methylpyrrolidin-2-one
CID 70926557
1-[5-[3-methyl-5-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclobutan-1-ol
CID 67433915
carbonic acid;(1R)-1-[5-[3-[[4-[(1S)-1-fluoroethyl]pyrimidin-2-yl]amino]-5-methylphenyl]-1,3-thiazol-2-yl]-3,3-dimethylcyclohexan-1-ol
CID 122667763
(3S)-3-[5-[3-methyl-5-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]pyrrolidin-3-ol
CID 141308920
(1R,2S,4S)-4-hydroxy-2-methyl-4-[5-[3-methyl-5-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid
CID 67432194
methyl 4-[1-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclopropyl]benzoate
CID 67432786
[5-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]methanesulfonamide
CID 67430239
methyl 3-[4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]azepan-1-yl]propanoate
CID 67248808

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-[[4-(2-methoxyethoxy)pyrimidin-2-yl]amino]-5-methylphenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[5-[3-[[4-(2-methoxyethoxy)pyrimidin-2-yl]amino]-5-methylphenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid (CID 123210602) is 1-[5-[3-[[4-(2-methoxyethoxy)pyrimidin-2-yl]amino]-5-methylphenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[5-[3-[[4-(2-methoxyethoxy)pyrimidin-2-yl]amino]-5-methylphenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[5-[3-[[4-(2-methoxyethoxy)pyrimidin-2-yl]amino]-5-methylphenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid is COCCOc1ccnc(Nc2cc(C)cc(-c3cnc(C4(C(=O)O)CCCCC4)s3)c2)n1.
What is the InChIKey of 1-[5-[3-[[4-(2-methoxyethoxy)pyrimidin-2-yl]amino]-5-methylphenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid?
The InChIKey is WAQJGAHXUZNFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-16-12-17(19-15-26-21(33-19)24(22(29)30)7-4-3-5-8-24)14-18(13-16)27-23-25-9-6-20(28-23)32-11-10-31-2/h6,9,12-15H,3-5,7-8,10-11H2,1-2H3,(H,29,30)(H,25,27,28).
What are the key properties of 1-[5-[3-[[4-(2-methoxyethoxy)pyrimidin-2-yl]amino]-5-methylphenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid?
1-[5-[3-[[4-(2-methoxyethoxy)pyrimidin-2-yl]amino]-5-methylphenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid has a molecular weight of 468.58 g/mol, XLogP of 4.96, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-[[4-(2-methoxyethoxy)pyrimidin-2-yl]amino]-5-methylphenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 123210602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).