cis-(1R,2S)-2-[(2S)-1-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-2-yl]cyclohexan-1-ol

C21H27FN2OS — CID 124882586

IUPACcis-(1R,2S)-2-[(2S)-1-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-2-yl]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1[C@@H]1CCCCN1Cc1csc(-c2ccccc2F)n1
InChIInChI=1S/C21H27FN2OS/c22-18-9-3-1-7-16(18)21-23-15(14-26-21)13-24-12-6-5-10-19(24)17-8-2-4-11-20(17)25/h1,3,7,9,14,17,19-20,25H,2,4-6,8,10-13H2/t17-,19-,20+/m0/s1
InChIKeyDCAXHAMYUUUKBK-YSIASYRMSA-N
MW374.53 g/mol
LogP4.85
Rot. Bonds4

About cis-(1R,2S)-2-[(2S)-1-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-2-yl]cyclohexan-1-ol

cis-(1R,2S)-2-[(2S)-1-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-2-yl]cyclohexan-1-ol (PubChem CID 124882586) has the molecular formula C21H27FN2OS and a molecular weight of 374.53 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(2S)-1-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(2S)-1-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-2-yl]cyclohexan-1-ol
PubChem CID124882586
Molecular FormulaC21H27FN2OS
Molecular Weight374.53 g/mol
Exact Mass374.18
IUPAC Namecis-(1R,2S)-2-[(2S)-1-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-2-yl]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1[C@@H]1CCCCN1Cc1csc(-c2ccccc2F)n1
InChIInChI=1S/C21H27FN2OS/c22-18-9-3-1-7-16(18)21-23-15(14-26-21)13-24-12-6-5-10-19(24)17-8-2-4-11-20(17)25/h1,3,7,9,14,17,19-20,25H,2,4-6,8,10-13H2/t17-,19-,20+/m0/s1
InChIKeyDCAXHAMYUUUKBK-YSIASYRMSA-N
XLogP4.85
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339200
2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339030
2-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-ol
CID 114340133
2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]cyclopentan-1-ol
CID 114340129
(2S)-1-[4-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-2-ol
CID 95352568
2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-1-[(2S)-2-(piperidin-1-ylmethyl)piperidin-1-yl]ethanone
CID 51499509
2-[1-[(2,5-difluorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339484
(2R)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide
CID 94014669
2-[1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339630
2-[1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339702
2-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339333
1-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]piperidine-3-carboxylic acid
CID 42652441

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(2S)-1-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-2-yl]cyclohexan-1-ol?
The IUPAC name of cis-(1R,2S)-2-[(2S)-1-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-2-yl]cyclohexan-1-ol (CID 124882586) is cis-(1R,2S)-2-[(2S)-1-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-[(2S)-1-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-2-yl]cyclohexan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-[(2S)-1-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-2-yl]cyclohexan-1-ol is O[C@@H]1CCCC[C@H]1[C@@H]1CCCCN1Cc1csc(-c2ccccc2F)n1.
What is the InChIKey of cis-(1R,2S)-2-[(2S)-1-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-2-yl]cyclohexan-1-ol?
The InChIKey is DCAXHAMYUUUKBK-YSIASYRMSA-N. The full InChI is InChI=1S/C21H27FN2OS/c22-18-9-3-1-7-16(18)21-23-15(14-26-21)13-24-12-6-5-10-19(24)17-8-2-4-11-20(17)25/h1,3,7,9,14,17,19-20,25H,2,4-6,8,10-13H2/t17-,19-,20+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[(2S)-1-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-2-yl]cyclohexan-1-ol?
cis-(1R,2S)-2-[(2S)-1-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-2-yl]cyclohexan-1-ol has a molecular weight of 374.53 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(2S)-1-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 124882586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).