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

C15H18FN3OS — CID 125135571

IUPAC(1R)-1-(4-fluorophenyl)-2-[(2R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]ethanol
SMILESCc1nnc(N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)s1
InChIInChI=1S/C15H18FN3OS/c1-10-17-18-15(21-10)19-8-2-3-13(19)9-14(20)11-4-6-12(16)7-5-11/h4-7,13-14,20H,2-3,8-9H2,1H3/t13-,14-/m1/s1
InChIKeyJFFDKQXKQWYXLA-ZIAGYGMSSA-N
MW307.39 g/mol
LogP3.08
Rot. Bonds4

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

(1R)-1-(4-fluorophenyl)-2-[(2R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]ethanol (PubChem CID 125135571) has the molecular formula C15H18FN3OS and a molecular weight of 307.39 g/mol. Its IUPAC name is (1R)-1-(4-fluorophenyl)-2-[(2R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-(4-fluorophenyl)-2-[(2R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]ethanol
PubChem CID125135571
Molecular FormulaC15H18FN3OS
Molecular Weight307.39 g/mol
Exact Mass307.12
IUPAC Name(1R)-1-(4-fluorophenyl)-2-[(2R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]ethanol
SMILESCc1nnc(N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)s1
InChIInChI=1S/C15H18FN3OS/c1-10-17-18-15(21-10)19-8-2-3-13(19)9-14(20)11-4-6-12(16)7-5-11/h4-7,13-14,20H,2-3,8-9H2,1H3/t13-,14-/m1/s1
InChIKeyJFFDKQXKQWYXLA-ZIAGYGMSSA-N
XLogP3.08
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-(4-fluorophenyl)-2-[(2R)-1-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrrolidin-2-yl]ethanol
CID 125141904
(1S)-1-(4-fluorophenyl)-2-[(2R)-1-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrrolidin-2-yl]ethanol
CID 125141907
2-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 97009430
2-[1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-1-(4-fluorophenyl)ethanol
CID 133472875
6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile
CID 133421655
(1R)-1-(4-fluorophenyl)-2-[(2R)-1-[(6-methoxypyridazin-3-yl)methyl]pyrrolidin-2-yl]ethanol
CID 125141845
(1S)-1-(4-fluorophenyl)-2-[(2S)-1-[(6-methoxypyridazin-3-yl)methyl]pyrrolidin-2-yl]ethanol
CID 125141846
2-[1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol
CID 119033917
2-[2-(chloromethyl)azepan-1-yl]-5-methyl-1,3,4-thiadiazole
CID 116638932
(1R)-1-(4-fluorophenyl)-2-[(2S)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-2-yl]ethanol
CID 124737079
1-(4-fluorophenyl)-2-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]ethanol
CID 120901751
1-(4-fluorophenyl)-2-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]ethanol;hydrochloride
CID 120901750

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-fluorophenyl)-2-[(2R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]ethanol?
The IUPAC name of (1R)-1-(4-fluorophenyl)-2-[(2R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]ethanol (CID 125135571) is (1R)-1-(4-fluorophenyl)-2-[(2R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]ethanol.
What is the SMILES notation for (1R)-1-(4-fluorophenyl)-2-[(2R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]ethanol?
The canonical SMILES for (1R)-1-(4-fluorophenyl)-2-[(2R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]ethanol is Cc1nnc(N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)s1.
What is the InChIKey of (1R)-1-(4-fluorophenyl)-2-[(2R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]ethanol?
The InChIKey is JFFDKQXKQWYXLA-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H18FN3OS/c1-10-17-18-15(21-10)19-8-2-3-13(19)9-14(20)11-4-6-12(16)7-5-11/h4-7,13-14,20H,2-3,8-9H2,1H3/t13-,14-/m1/s1.
What are the key properties of (1R)-1-(4-fluorophenyl)-2-[(2R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]ethanol?
(1R)-1-(4-fluorophenyl)-2-[(2R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]ethanol has a molecular weight of 307.39 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-fluorophenyl)-2-[(2R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]ethanol is sourced from PubChem (CID 125135571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).