cis-(1S,2R)-2-[(2R)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]cyclopentan-1-ol

C14H23N3OS — CID 126454632

IUPACcis-(1S,2R)-2-[(2R)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]cyclopentan-1-ol
SMILESCCc1nsc(N2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)n1
InChIInChI=1S/C14H23N3OS/c1-2-13-15-14(19-16-13)17-9-4-3-7-11(17)10-6-5-8-12(10)18/h10-12,18H,2-9H2,1H3/t10-,11-,12+/m1/s1
InChIKeyFTLAHFVAOOSFHE-UTUOFQBUSA-N
MW281.42 g/mol
LogP2.62
Rot. Bonds3

About cis-(1S,2R)-2-[(2R)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]cyclopentan-1-ol

cis-(1S,2R)-2-[(2R)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]cyclopentan-1-ol (PubChem CID 126454632) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(2R)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(2R)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]cyclopentan-1-ol
PubChem CID126454632
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Namecis-(1S,2R)-2-[(2R)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]cyclopentan-1-ol
SMILESCCc1nsc(N2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)n1
InChIInChI=1S/C14H23N3OS/c1-2-13-15-14(19-16-13)17-9-4-3-7-11(17)10-6-5-8-12(10)18/h10-12,18H,2-9H2,1H3/t10-,11-,12+/m1/s1
InChIKeyFTLAHFVAOOSFHE-UTUOFQBUSA-N
XLogP2.62
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]cyclopentan-1-ol
CID 126814537
3-ethyl-5-(3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,2,4-thiadiazole
CID 133463957
3-ethyl-5-[2-(methoxymethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole
CID 133428859
ethyl 1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylate
CID 65274919
N-[[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]-2-methoxyethanamine
CID 65280822
(3S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol
CID 103718731
3-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-amine
CID 65277768
cyclopentyl-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 133332977
2-(1-ethylpiperidin-2-yl)cyclohexan-1-ol
CID 114339807
1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid
CID 65273603
1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-2-carboxylic acid
CID 102776659
ethyl 1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxylate
CID 113331456

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(2R)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]cyclopentan-1-ol?
The IUPAC name of cis-(1S,2R)-2-[(2R)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]cyclopentan-1-ol (CID 126454632) is cis-(1S,2R)-2-[(2R)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]cyclopentan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-[(2R)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]cyclopentan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-[(2R)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]cyclopentan-1-ol is CCc1nsc(N2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)n1.
What is the InChIKey of cis-(1S,2R)-2-[(2R)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]cyclopentan-1-ol?
The InChIKey is FTLAHFVAOOSFHE-UTUOFQBUSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-2-13-15-14(19-16-13)17-9-4-3-7-11(17)10-6-5-8-12(10)18/h10-12,18H,2-9H2,1H3/t10-,11-,12+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[(2R)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]cyclopentan-1-ol?
cis-(1S,2R)-2-[(2R)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]cyclopentan-1-ol has a molecular weight of 281.42 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(2R)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]cyclopentan-1-ol is sourced from PubChem (CID 126454632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).