2-[1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol

C17H23N3OS — CID 119033917

IUPAC2-[1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol
SMILESCc1nnc(C(C)N2CCCC2CC(O)c2ccccc2)s1
InChIInChI=1S/C17H23N3OS/c1-12(17-19-18-13(2)22-17)20-10-6-9-15(20)11-16(21)14-7-4-3-5-8-14/h3-5,7-8,12,15-16,21H,6,9-11H2,1-2H3
InChIKeyFTFUKIVQCQGRRS-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.50
Rot. Bonds5

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

2-[1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol (PubChem CID 119033917) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 2-[1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol
PubChem CID119033917
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name2-[1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol
SMILESCc1nnc(C(C)N2CCCC2CC(O)c2ccccc2)s1
InChIInChI=1S/C17H23N3OS/c1-12(17-19-18-13(2)22-17)20-10-6-9-15(20)11-16(21)14-7-4-3-5-8-14/h3-5,7-8,12,15-16,21H,6,9-11H2,1-2H3
InChIKeyFTFUKIVQCQGRRS-UHFFFAOYSA-N
XLogP3.50
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.50
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-[1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol
CID 111613124
2-[1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol
CID 111490235
1-[1-(1-phenylethyl)piperidin-2-yl]propan-2-ol
CID 114338177
2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]butanamide
CID 111490203
(1R)-2-[(2R)-1-methylpiperidin-2-yl]-1-phenylethanol;hydrochloride
CID 24842687
(1R)-1-(4-fluorophenyl)-2-[(2R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]ethanol
CID 125135571
(1R)-2-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol
CID 100859490
[(2S)-1-(1-phenylethyl)pyrrolidin-2-yl]methanol
CID 66261742
(2R)-2-amino-1-[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]propan-1-one
CID 125118441
2-[1-(3-methoxypropyl)pyrrolidin-2-yl]-1-phenylethanol
CID 111490186

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol?
The IUPAC name of 2-[1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol (CID 119033917) is 2-[1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol.
What is the SMILES notation for 2-[1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol?
The canonical SMILES for 2-[1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol is Cc1nnc(C(C)N2CCCC2CC(O)c2ccccc2)s1.
What is the InChIKey of 2-[1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol?
The InChIKey is FTFUKIVQCQGRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-12(17-19-18-13(2)22-17)20-10-6-9-15(20)11-16(21)14-7-4-3-5-8-14/h3-5,7-8,12,15-16,21H,6,9-11H2,1-2H3.
What are the key properties of 2-[1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol?
2-[1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol has a molecular weight of 317.46 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrrolidin-2-yl]-1-phenylethanol is sourced from PubChem (CID 119033917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).