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

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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).