2-cyclohexyl-4-cyclopentyloxy-5-(4-methylsulfonylphenyl)-1,3-thiazole

C21H27NO3S2 — CID 44548743

IUPAC2-cyclohexyl-4-cyclopentyloxy-5-(4-methylsulfonylphenyl)-1,3-thiazole
SMILESCS(=O)(=O)c1ccc(-c2sc(C3CCCCC3)nc2OC2CCCC2)cc1
InChIInChI=1S/C21H27NO3S2/c1-27(23,24)18-13-11-15(12-14-18)19-20(25-17-9-5-6-10-17)22-21(26-19)16-7-3-2-4-8-16/h11-14,16-17H,2-10H2,1H3
InChIKeyWOKMLSXTRDHCAW-UHFFFAOYSA-N
MW405.59 g/mol
LogP5.58
Rot. Bonds5

About 2-cyclohexyl-4-cyclopentyloxy-5-(4-methylsulfonylphenyl)-1,3-thiazole

2-cyclohexyl-4-cyclopentyloxy-5-(4-methylsulfonylphenyl)-1,3-thiazole (PubChem CID 44548743) has the molecular formula C21H27NO3S2 and a molecular weight of 405.59 g/mol. Its IUPAC name is 2-cyclohexyl-4-cyclopentyloxy-5-(4-methylsulfonylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-cyclohexyl-4-cyclopentyloxy-5-(4-methylsulfonylphenyl)-1,3-thiazole
PubChem CID44548743
Molecular FormulaC21H27NO3S2
Molecular Weight405.59 g/mol
Exact Mass405.14
IUPAC Name2-cyclohexyl-4-cyclopentyloxy-5-(4-methylsulfonylphenyl)-1,3-thiazole
SMILESCS(=O)(=O)c1ccc(-c2sc(C3CCCCC3)nc2OC2CCCC2)cc1
InChIInChI=1S/C21H27NO3S2/c1-27(23,24)18-13-11-15(12-14-18)19-20(25-17-9-5-6-10-17)22-21(26-19)16-7-3-2-4-8-16/h11-14,16-17H,2-10H2,1H3
InChIKeyWOKMLSXTRDHCAW-UHFFFAOYSA-N
XLogP5.58
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.59
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-cyclohexyl-4-cyclopentyloxy-5-(4-methylsulfonylphenyl)-1,3-thiazole 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-(cyclopropylmethoxy)-2-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazole
CID 44545556
5-(4-methylsulfonylphenyl)-2-piperidin-4-yl-[1,3]thiazolo[5,4-b]pyridine
CID 131985315
5-(4-methylsulfonylphenyl)-2-piperidin-4-yl-1,3-thiazole
CID 150283484
cyclohexyl 2-[4-(4-carbamoyl-2-piperidin-4-yl-1,3-thiazol-5-yl)phenoxy]acetate
CID 67644124
[4-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)phenyl]methanamine
CID 116885292
methyl 4-cyclobutyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxylate
CID 141488366
5-(4-chlorophenyl)sulfanyl-2-cyclohexyl-1-methyl-4-(4-methylsulfonylphenyl)imidazole
CID 44553565
N-(2-cycloheptyloxyethyl)-2-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide
CID 119050520
N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 9246504
cyclohexene;1-methylsulfonyl-4-phenylbenzene
CID 68567759
4-(4-methylsulfonylphenoxy)cyclohexan-1-amine
CID 55115555
5-cyclohexyloxy-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 58938308

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-cyclopentyloxy-5-(4-methylsulfonylphenyl)-1,3-thiazole?
The IUPAC name of 2-cyclohexyl-4-cyclopentyloxy-5-(4-methylsulfonylphenyl)-1,3-thiazole (CID 44548743) is 2-cyclohexyl-4-cyclopentyloxy-5-(4-methylsulfonylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-cyclohexyl-4-cyclopentyloxy-5-(4-methylsulfonylphenyl)-1,3-thiazole?
The canonical SMILES for 2-cyclohexyl-4-cyclopentyloxy-5-(4-methylsulfonylphenyl)-1,3-thiazole is CS(=O)(=O)c1ccc(-c2sc(C3CCCCC3)nc2OC2CCCC2)cc1.
What is the InChIKey of 2-cyclohexyl-4-cyclopentyloxy-5-(4-methylsulfonylphenyl)-1,3-thiazole?
The InChIKey is WOKMLSXTRDHCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3S2/c1-27(23,24)18-13-11-15(12-14-18)19-20(25-17-9-5-6-10-17)22-21(26-19)16-7-3-2-4-8-16/h11-14,16-17H,2-10H2,1H3.
What are the key properties of 2-cyclohexyl-4-cyclopentyloxy-5-(4-methylsulfonylphenyl)-1,3-thiazole?
2-cyclohexyl-4-cyclopentyloxy-5-(4-methylsulfonylphenyl)-1,3-thiazole has a molecular weight of 405.59 g/mol, XLogP of 5.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-cyclopentyloxy-5-(4-methylsulfonylphenyl)-1,3-thiazole is sourced from PubChem (CID 44548743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).