2-[1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole

C19H28N4O2S2 — CID 45213715

IUPAC2-[1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole
SMILESCS(=O)(=O)c1ncc(CN2CCCC2c2nccs2)n1CC1CCCCC1
InChIInChI=1S/C19H28N4O2S2/c1-27(24,25)19-21-12-16(23(19)13-15-6-3-2-4-7-15)14-22-10-5-8-17(22)18-20-9-11-26-18/h9,11-12,15,17H,2-8,10,13-14H2,1H3
InChIKeyRYZTXGHZXPGRGZ-UHFFFAOYSA-N
MW408.59 g/mol
LogP3.66
Rot. Bonds6

About 2-[1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole

2-[1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole (PubChem CID 45213715) has the molecular formula C19H28N4O2S2 and a molecular weight of 408.59 g/mol. Its IUPAC name is 2-[1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole
PubChem CID45213715
Molecular FormulaC19H28N4O2S2
Molecular Weight408.59 g/mol
Exact Mass408.17
IUPAC Name2-[1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole
SMILESCS(=O)(=O)c1ncc(CN2CCCC2c2nccs2)n1CC1CCCCC1
InChIInChI=1S/C19H28N4O2S2/c1-27(24,25)19-21-12-16(23(19)13-15-6-3-2-4-7-15)14-22-10-5-8-17(22)18-20-9-11-26-18/h9,11-12,15,17H,2-8,10,13-14H2,1H3
InChIKeyRYZTXGHZXPGRGZ-UHFFFAOYSA-N
XLogP3.66
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole with MolForge

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Related Compounds

3-[(2S)-1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]piperidin-2-yl]propan-1-ol
CID 25285752
5-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1-(2-methylpropyl)-2-methylsulfonylimidazole
CID 25285275
2-methyl-5-[[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole
CID 125136328
5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120899637
2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]-1,3-thiazole
CID 77087825
2-[1-[[1-(1-methylpiperidin-4-yl)triazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole
CID 45209217
1-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]-4-methylpiperidine
CID 42196262
2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]acetonitrile
CID 130666209
2-[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole
CID 77091401
6-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1H-pyridin-2-one
CID 56860296
2-[(2R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-2-yl]-1,3-thiazole
CID 99844268
N-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylethanamine
CID 45198220

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole?
The IUPAC name of 2-[1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole (CID 45213715) is 2-[1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole is CS(=O)(=O)c1ncc(CN2CCCC2c2nccs2)n1CC1CCCCC1.
What is the InChIKey of 2-[1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole?
The InChIKey is RYZTXGHZXPGRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2S2/c1-27(24,25)19-21-12-16(23(19)13-15-6-3-2-4-7-15)14-22-10-5-8-17(22)18-20-9-11-26-18/h9,11-12,15,17H,2-8,10,13-14H2,1H3.
What are the key properties of 2-[1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole?
2-[1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole has a molecular weight of 408.59 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 45213715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).