(3S,5S)-5-(3-fluorophenyl)-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-ol

C15H18FN3OS — CID 125140969

IUPAC(3S,5S)-5-(3-fluorophenyl)-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-ol
SMILESCC(C)c1nnc(N2C[C@@H](O)C[C@H]2c2cccc(F)c2)s1
InChIInChI=1S/C15H18FN3OS/c1-9(2)14-17-18-15(21-14)19-8-12(20)7-13(19)10-4-3-5-11(16)6-10/h3-6,9,12-13,20H,7-8H2,1-2H3/t12-,13-/m0/s1
InChIKeyBSZIUOONKPYUAK-STQMWFEESA-N
MW307.39 g/mol
LogP3.11
Rot. Bonds3

About (3S,5S)-5-(3-fluorophenyl)-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-ol

(3S,5S)-5-(3-fluorophenyl)-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-ol (PubChem CID 125140969) has the molecular formula C15H18FN3OS and a molecular weight of 307.39 g/mol. Its IUPAC name is (3S,5S)-5-(3-fluorophenyl)-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,5S)-5-(3-fluorophenyl)-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-ol
PubChem CID125140969
Molecular FormulaC15H18FN3OS
Molecular Weight307.39 g/mol
Exact Mass307.12
IUPAC Name(3S,5S)-5-(3-fluorophenyl)-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-ol
SMILESCC(C)c1nnc(N2C[C@@H](O)C[C@H]2c2cccc(F)c2)s1
InChIInChI=1S/C15H18FN3OS/c1-9(2)14-17-18-15(21-14)19-8-12(20)7-13(19)10-4-3-5-11(16)6-10/h3-6,9,12-13,20H,7-8H2,1-2H3/t12-,13-/m0/s1
InChIKeyBSZIUOONKPYUAK-STQMWFEESA-N
XLogP3.11
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S,5S)-5-(3-fluorophenyl)-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]benzonitrile
CID 129349528
(3S,5R)-1-(5-chloro-2-pyridinyl)-5-(3-fluorophenyl)pyrrolidin-3-ol
CID 129480765
(3S,5S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-5-(3-fluorophenyl)pyrrolidin-3-ol
CID 129480535
(3S,5R)-5-(3-fluorophenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-ol
CID 100710239
(3R,5R)-5-(3-fluorophenyl)-1-(7H-purin-6-yl)pyrrolidin-3-ol
CID 129447470
2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyridine-3-carbonitrile
CID 129448984
6-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 129480751
(3R,5R)-5-(3-fluorophenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol
CID 129447312
(3R,5S)-5-(3-fluorophenyl)-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-ol
CID 129480601
5-(3-fluorophenyl)-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-ol
CID 128975461
(3S,5S)-5-(3-fluorophenyl)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
CID 129480731
5-(3-fluorophenyl)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
CID 128970090

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-(3-fluorophenyl)-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-ol?
The IUPAC name of (3S,5S)-5-(3-fluorophenyl)-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-ol (CID 125140969) is (3S,5S)-5-(3-fluorophenyl)-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,5S)-5-(3-fluorophenyl)-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-ol?
The canonical SMILES for (3S,5S)-5-(3-fluorophenyl)-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-ol is CC(C)c1nnc(N2C[C@@H](O)C[C@H]2c2cccc(F)c2)s1.
What is the InChIKey of (3S,5S)-5-(3-fluorophenyl)-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-ol?
The InChIKey is BSZIUOONKPYUAK-STQMWFEESA-N. The full InChI is InChI=1S/C15H18FN3OS/c1-9(2)14-17-18-15(21-14)19-8-12(20)7-13(19)10-4-3-5-11(16)6-10/h3-6,9,12-13,20H,7-8H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of (3S,5S)-5-(3-fluorophenyl)-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-ol?
(3S,5S)-5-(3-fluorophenyl)-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-ol has a molecular weight of 307.39 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-(3-fluorophenyl)-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-ol is sourced from PubChem (CID 125140969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).