(3-phenylpyrrolidin-1-yl)-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methanone

C14H12F3N3OS — CID 138048274

IUPAC(3-phenylpyrrolidin-1-yl)-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methanone
SMILESO=C(c1nnc(C(F)(F)F)s1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C14H12F3N3OS/c15-14(16,17)13-19-18-11(22-13)12(21)20-7-6-10(8-20)9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeyOSKKKGOTDKBAQU-UHFFFAOYSA-N
MW327.33 g/mol
LogP3.19
Rot. Bonds2

About (3-phenylpyrrolidin-1-yl)-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methanone

(3-phenylpyrrolidin-1-yl)-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methanone (PubChem CID 138048274) has the molecular formula C14H12F3N3OS and a molecular weight of 327.33 g/mol. Its IUPAC name is (3-phenylpyrrolidin-1-yl)-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methanone.

Molecular Properties

Compound Name(3-phenylpyrrolidin-1-yl)-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methanone
PubChem CID138048274
Molecular FormulaC14H12F3N3OS
Molecular Weight327.33 g/mol
Exact Mass327.07
IUPAC Name(3-phenylpyrrolidin-1-yl)-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methanone
SMILESO=C(c1nnc(C(F)(F)F)s1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C14H12F3N3OS/c15-14(16,17)13-19-18-11(22-13)12(21)20-7-6-10(8-20)9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeyOSKKKGOTDKBAQU-UHFFFAOYSA-N
XLogP3.19
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chloro-1,3,4-thiadiazol-2-yl)-(4-phenylpiperidin-1-yl)methanone
CID 80625752
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
(4,5-dibromothiophen-2-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 78986133
3,3,3-trifluoro-1-(3-phenylpyrrolidin-1-yl)propan-1-one
CID 126796221
1,2-oxazol-5-yl-[(3R)-3-phenylpyrrolidin-1-yl]methanone
CID 51897824
(3-phenylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 2908197
(3-phenylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 62069692
(3-bromothiophen-2-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 55211850
(3R)-3-phenyl-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 51895142
(3-phenylpyrrolidin-1-yl)-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methanone
CID 15986673
1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]ethanone
CID 43926531
(2-bromo-5-fluorophenyl)-(3-phenylpyrrolidin-1-yl)methanone
CID 62070029

Frequently Asked Questions

What is the IUPAC name of (3-phenylpyrrolidin-1-yl)-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methanone?
The IUPAC name of (3-phenylpyrrolidin-1-yl)-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methanone (CID 138048274) is (3-phenylpyrrolidin-1-yl)-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methanone.
What is the SMILES notation for (3-phenylpyrrolidin-1-yl)-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methanone?
The canonical SMILES for (3-phenylpyrrolidin-1-yl)-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methanone is O=C(c1nnc(C(F)(F)F)s1)N1CCC(c2ccccc2)C1.
What is the InChIKey of (3-phenylpyrrolidin-1-yl)-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methanone?
The InChIKey is OSKKKGOTDKBAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3OS/c15-14(16,17)13-19-18-11(22-13)12(21)20-7-6-10(8-20)9-4-2-1-3-5-9/h1-5,10H,6-8H2.
What are the key properties of (3-phenylpyrrolidin-1-yl)-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methanone?
(3-phenylpyrrolidin-1-yl)-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methanone has a molecular weight of 327.33 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylpyrrolidin-1-yl)-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methanone is sourced from PubChem (CID 138048274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).