4-[5-[4-(4-tert-butylanilino)phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid

C26H30N2O2S — CID 66613951

IUPAC4-[5-[4-(4-tert-butylanilino)phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid
SMILESCC(C)(C)c1ccc(Nc2ccc(-c3cnc(C4CCC(C(=O)O)CC4)s3)cc2)cc1
InChIInChI=1S/C26H30N2O2S/c1-26(2,3)20-10-14-22(15-11-20)28-21-12-8-17(9-13-21)23-16-27-24(31-23)18-4-6-19(7-5-18)25(29)30/h8-16,18-19,28H,4-7H2,1-3H3,(H,29,30)
InChIKeyGPJQDIOUPBNILD-UHFFFAOYSA-N
MW434.61 g/mol
LogP7.21
Rot. Bonds5

About 4-[5-[4-(4-tert-butylanilino)phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid

4-[5-[4-(4-tert-butylanilino)phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid (PubChem CID 66613951) has the molecular formula C26H30N2O2S and a molecular weight of 434.61 g/mol. Its IUPAC name is 4-[5-[4-(4-tert-butylanilino)phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[5-[4-(4-tert-butylanilino)phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid
PubChem CID66613951
Molecular FormulaC26H30N2O2S
Molecular Weight434.61 g/mol
Exact Mass434.20
IUPAC Name4-[5-[4-(4-tert-butylanilino)phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid
SMILESCC(C)(C)c1ccc(Nc2ccc(-c3cnc(C4CCC(C(=O)O)CC4)s3)cc2)cc1
InChIInChI=1S/C26H30N2O2S/c1-26(2,3)20-10-14-22(15-11-20)28-21-12-8-17(9-13-21)23-16-27-24(31-23)18-4-6-19(7-5-18)25(29)30/h8-16,18-19,28H,4-7H2,1-3H3,(H,29,30)
InChIKeyGPJQDIOUPBNILD-UHFFFAOYSA-N
XLogP7.21
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.61
LogP ≤ 57.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[5-[4-(4-tert-butylanilino)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-[5-[4-(4-tert-butylanilino)phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[5-[4-(4-tert-butylanilino)phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid (CID 66613951) is 4-[5-[4-(4-tert-butylanilino)phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[5-[4-(4-tert-butylanilino)phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[5-[4-(4-tert-butylanilino)phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid is CC(C)(C)c1ccc(Nc2ccc(-c3cnc(C4CCC(C(=O)O)CC4)s3)cc2)cc1.
What is the InChIKey of 4-[5-[4-(4-tert-butylanilino)phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid?
The InChIKey is GPJQDIOUPBNILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2S/c1-26(2,3)20-10-14-22(15-11-20)28-21-12-8-17(9-13-21)23-16-27-24(31-23)18-4-6-19(7-5-18)25(29)30/h8-16,18-19,28H,4-7H2,1-3H3,(H,29,30).
What are the key properties of 4-[5-[4-(4-tert-butylanilino)phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid?
4-[5-[4-(4-tert-butylanilino)phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid has a molecular weight of 434.61 g/mol, XLogP of 7.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(4-tert-butylanilino)phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 66613951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).