(4R)-5-[4-[[7-fluoro-2-(1-hydroxycyclopentyl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl]oxy-4-methylpentan-2-one

C24H32FNO4S — CID 147607340

IUPAC(4R)-5-[4-[[7-fluoro-2-(1-hydroxycyclopentyl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl]oxy-4-methylpentan-2-one
SMILESCC(=O)C[C@@H](C)COC1CCC(Oc2ccc3nc(C4(O)CCCC4)sc3c2F)CC1
InChIInChI=1S/C24H32FNO4S/c1-15(13-16(2)27)14-29-17-5-7-18(8-6-17)30-20-10-9-19-22(21(20)25)31-23(26-19)24(28)11-3-4-12-24/h9-10,15,17-18,28H,3-8,11-14H2,1-2H3/t15-,17?,18?/m1/s1
InChIKeyGBHZELNURCSJJH-FAEJEUNOSA-N
MW449.59 g/mol
LogP5.52
Rot. Bonds8

About (4R)-5-[4-[[7-fluoro-2-(1-hydroxycyclopentyl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl]oxy-4-methylpentan-2-one

(4R)-5-[4-[[7-fluoro-2-(1-hydroxycyclopentyl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl]oxy-4-methylpentan-2-one (PubChem CID 147607340) has the molecular formula C24H32FNO4S and a molecular weight of 449.59 g/mol. Its IUPAC name is (4R)-5-[4-[[7-fluoro-2-(1-hydroxycyclopentyl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl]oxy-4-methylpentan-2-one.

Molecular Properties

Compound Name(4R)-5-[4-[[7-fluoro-2-(1-hydroxycyclopentyl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl]oxy-4-methylpentan-2-one
PubChem CID147607340
Molecular FormulaC24H32FNO4S
Molecular Weight449.59 g/mol
Exact Mass449.20
IUPAC Name(4R)-5-[4-[[7-fluoro-2-(1-hydroxycyclopentyl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl]oxy-4-methylpentan-2-one
SMILESCC(=O)C[C@@H](C)COC1CCC(Oc2ccc3nc(C4(O)CCCC4)sc3c2F)CC1
InChIInChI=1S/C24H32FNO4S/c1-15(13-16(2)27)14-29-17-5-7-18(8-6-17)30-20-10-9-19-22(21(20)25)31-23(26-19)24(28)11-3-4-12-24/h9-10,15,17-18,28H,3-8,11-14H2,1-2H3/t15-,17?,18?/m1/s1
InChIKeyGBHZELNURCSJJH-FAEJEUNOSA-N
XLogP5.52
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.59
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4R)-5-[4-[[7-fluoro-2-(1-hydroxycyclopentyl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl]oxy-4-methylpentan-2-one 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

(4R)-5-[3-[(2-cyclobutyloxy-7-fluoro-1,3-benzothiazol-6-yl)oxymethyl]cyclobutyl]oxy-4-methylpentan-2-one
CID 148754618
N-[(2S)-1-[4-[[2-(4,4-difluoropiperidin-1-yl)-7-fluoro-1,3-benzothiazol-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide
CID 122497664
N-[(2S)-1-[4-[(7-fluoro-2-morpholin-4-yl-1,3-benzothiazol-6-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide
CID 122497728
(4R)-5-[4-[(6-bromo-1,3-benzothiazol-2-yl)oxy]cyclohexyl]oxy-4-methylpentan-2-one
CID 158902004
(4R)-5-[4-[6-(2,2-difluoroethoxy)-1-methylbenzimidazol-2-yl]oxycyclohexyl]oxy-4-methylpentan-2-one
CID 158345332
N-[(2S)-1-[4-[[2-(1,1-difluoroethyl)-7-fluoro-1,3-benzothiazol-6-yl]oxy]cyclohexyl]oxypropan-2-yl]methanesulfonamide
CID 122497436
(4R)-5-[4-(6-bromo-4-fluoro-1-methylbenzimidazol-2-yl)oxycyclohexyl]oxy-4-methylpentan-2-one
CID 159763849
[(2S)-1-[4-(6-cyclopropyloxy-7-fluoro-1-methylbenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]urea
CID 134357666
N-[(2S)-1-cyclohexyloxypropan-2-yl]acetamide;7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-ol
CID 144830472
(4R)-5-[4-[6-(2,2-difluoroethoxy)-4,7-difluoro-1-methylbenzimidazol-2-yl]oxycyclohexyl]oxy-4-methylpentan-2-one;6-(2,2-difluoroethoxy)-4,7-difluoro-1-methyl-2-methylsulfonylbenzimidazole;(4R)-5-(4-hydroxycyclohexyl)oxy-4-methylpentan-2-one
CID 161305899
(4R)-5-[3-[[6-chloro-2-(2,2-difluoroethoxy)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxymethyl]cyclobutyl]oxy-4-methylpentan-2-one
CID 162123891
N-[(2S)-1-[3-[[2-(1,1-difluoroethyl)-7-fluoro-1,3-benzothiazol-6-yl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
CID 122497981

Frequently Asked Questions

What is the IUPAC name of (4R)-5-[4-[[7-fluoro-2-(1-hydroxycyclopentyl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl]oxy-4-methylpentan-2-one?
The IUPAC name of (4R)-5-[4-[[7-fluoro-2-(1-hydroxycyclopentyl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl]oxy-4-methylpentan-2-one (CID 147607340) is (4R)-5-[4-[[7-fluoro-2-(1-hydroxycyclopentyl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl]oxy-4-methylpentan-2-one.
What is the SMILES notation for (4R)-5-[4-[[7-fluoro-2-(1-hydroxycyclopentyl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl]oxy-4-methylpentan-2-one?
The canonical SMILES for (4R)-5-[4-[[7-fluoro-2-(1-hydroxycyclopentyl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl]oxy-4-methylpentan-2-one is CC(=O)C[C@@H](C)COC1CCC(Oc2ccc3nc(C4(O)CCCC4)sc3c2F)CC1.
What is the InChIKey of (4R)-5-[4-[[7-fluoro-2-(1-hydroxycyclopentyl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl]oxy-4-methylpentan-2-one?
The InChIKey is GBHZELNURCSJJH-FAEJEUNOSA-N. The full InChI is InChI=1S/C24H32FNO4S/c1-15(13-16(2)27)14-29-17-5-7-18(8-6-17)30-20-10-9-19-22(21(20)25)31-23(26-19)24(28)11-3-4-12-24/h9-10,15,17-18,28H,3-8,11-14H2,1-2H3/t15-,17?,18?/m1/s1.
What are the key properties of (4R)-5-[4-[[7-fluoro-2-(1-hydroxycyclopentyl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl]oxy-4-methylpentan-2-one?
(4R)-5-[4-[[7-fluoro-2-(1-hydroxycyclopentyl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl]oxy-4-methylpentan-2-one has a molecular weight of 449.59 g/mol, XLogP of 5.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-[4-[[7-fluoro-2-(1-hydroxycyclopentyl)-1,3-benzothiazol-6-yl]oxy]cyclohexyl]oxy-4-methylpentan-2-one is sourced from PubChem (CID 147607340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).