2-(4-cyclohexyloxy-3-imidazol-1-ylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid

C20H21N3O3S — CID 78321683

IUPAC2-(4-cyclohexyloxy-3-imidazol-1-ylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2ccc(OC3CCCCC3)c(-n3ccnc3)c2)sc1C(=O)O
InChIInChI=1S/C20H21N3O3S/c1-13-18(20(24)25)27-19(22-13)14-7-8-17(26-15-5-3-2-4-6-15)16(11-14)23-10-9-21-12-23/h7-12,15H,2-6H2,1H3,(H,24,25)
InChIKeyNVSSBRUDMUXFPZ-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.71
Rot. Bonds5

About 2-(4-cyclohexyloxy-3-imidazol-1-ylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid

2-(4-cyclohexyloxy-3-imidazol-1-ylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 78321683) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-(4-cyclohexyloxy-3-imidazol-1-ylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-cyclohexyloxy-3-imidazol-1-ylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID78321683
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name2-(4-cyclohexyloxy-3-imidazol-1-ylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2ccc(OC3CCCCC3)c(-n3ccnc3)c2)sc1C(=O)O
InChIInChI=1S/C20H21N3O3S/c1-13-18(20(24)25)27-19(22-13)14-7-8-17(26-15-5-3-2-4-6-15)16(11-14)23-10-9-21-12-23/h7-12,15H,2-6H2,1H3,(H,24,25)
InChIKeyNVSSBRUDMUXFPZ-UHFFFAOYSA-N
XLogP4.71
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexyloxy-3-imidazol-1-ylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(4-cyclohexyloxy-3-imidazol-1-ylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid (CID 78321683) is 2-(4-cyclohexyloxy-3-imidazol-1-ylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(4-cyclohexyloxy-3-imidazol-1-ylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(4-cyclohexyloxy-3-imidazol-1-ylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(-c2ccc(OC3CCCCC3)c(-n3ccnc3)c2)sc1C(=O)O.
What is the InChIKey of 2-(4-cyclohexyloxy-3-imidazol-1-ylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is NVSSBRUDMUXFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-13-18(20(24)25)27-19(22-13)14-7-8-17(26-15-5-3-2-4-6-15)16(11-14)23-10-9-21-12-23/h7-12,15H,2-6H2,1H3,(H,24,25).
What are the key properties of 2-(4-cyclohexyloxy-3-imidazol-1-ylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
2-(4-cyclohexyloxy-3-imidazol-1-ylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 383.47 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexyloxy-3-imidazol-1-ylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 78321683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).