1-(furan-2-yl)-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]ethanol

C13H17N3O2S — CID 133430157

IUPAC1-(furan-2-yl)-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]ethanol
SMILESCc1nsc(N2CCCC2CC(O)c2ccco2)n1
InChIInChI=1S/C13H17N3O2S/c1-9-14-13(19-15-9)16-6-2-4-10(16)8-11(17)12-5-3-7-18-12/h3,5,7,10-11,17H,2,4,6,8H2,1H3
InChIKeyQYADSQWQDBZQNG-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.53
Rot. Bonds4

About 1-(furan-2-yl)-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]ethanol

1-(furan-2-yl)-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]ethanol (PubChem CID 133430157) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name1-(furan-2-yl)-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]ethanol
PubChem CID133430157
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name1-(furan-2-yl)-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]ethanol
SMILESCc1nsc(N2CCCC2CC(O)c2ccco2)n1
InChIInChI=1S/C13H17N3O2S/c1-9-14-13(19-15-9)16-6-2-4-10(16)8-11(17)12-5-3-7-18-12/h3,5,7,10-11,17H,2,4,6,8H2,1H3
InChIKeyQYADSQWQDBZQNG-UHFFFAOYSA-N
XLogP2.53
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(furan-2-yl)-2-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]azepan-2-yl]ethanol
CID 133491384
(2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-N-methoxypyrrolidine-1-carboxamide
CID 99718766
(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-N-methoxypyrrolidine-1-carboxamide
CID 99718768
tert-butyl (2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxylate
CID 97071886
3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]propanoic acid
CID 65267660
(1S)-1-(furan-2-yl)-2-[(2S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]ethanol
CID 97075660
(1S)-1-(furan-2-yl)-2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]azepan-2-yl]ethanol
CID 97224996
(1R)-2-[(2S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]-1-(furan-2-yl)ethanol
CID 97078704
N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]methanesulfonamide
CID 154736702
(1S)-1-(furan-2-yl)-2-[(2S)-1-(1,2-oxazol-3-ylmethyl)azepan-2-yl]ethanol
CID 97078677
(2R)-N-(dicyclopropylmethyl)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide
CID 97224407
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-[2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]acetamide
CID 71920097

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]ethanol?
The IUPAC name of 1-(furan-2-yl)-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]ethanol (CID 133430157) is 1-(furan-2-yl)-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]ethanol.
What is the SMILES notation for 1-(furan-2-yl)-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]ethanol?
The canonical SMILES for 1-(furan-2-yl)-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]ethanol is Cc1nsc(N2CCCC2CC(O)c2ccco2)n1.
What is the InChIKey of 1-(furan-2-yl)-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]ethanol?
The InChIKey is QYADSQWQDBZQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-9-14-13(19-15-9)16-6-2-4-10(16)8-11(17)12-5-3-7-18-12/h3,5,7,10-11,17H,2,4,6,8H2,1H3.
What are the key properties of 1-(furan-2-yl)-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]ethanol?
1-(furan-2-yl)-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]ethanol has a molecular weight of 279.37 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]ethanol is sourced from PubChem (CID 133430157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).