(3S)-1-cyclopentyl-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide

C13H15F3N4O2S — CID 9364724

IUPAC(3S)-1-cyclopentyl-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1nnc(C(F)(F)F)s1)[C@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C13H15F3N4O2S/c14-13(15,16)11-18-19-12(23-11)17-10(22)7-5-9(21)20(6-7)8-3-1-2-4-8/h7-8H,1-6H2,(H,17,19,22)/t7-/m0/s1
InChIKeyRUVPWKWHEFGNMM-ZETCQYMHSA-N
MW348.35 g/mol
LogP2.29
Rot. Bonds3

About (3S)-1-cyclopentyl-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide

(3S)-1-cyclopentyl-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide (PubChem CID 9364724) has the molecular formula C13H15F3N4O2S and a molecular weight of 348.35 g/mol. Its IUPAC name is (3S)-1-cyclopentyl-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-cyclopentyl-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
PubChem CID9364724
Molecular FormulaC13H15F3N4O2S
Molecular Weight348.35 g/mol
Exact Mass348.09
IUPAC Name(3S)-1-cyclopentyl-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1nnc(C(F)(F)F)s1)[C@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C13H15F3N4O2S/c14-13(15,16)11-18-19-12(23-11)17-10(22)7-5-9(21)20(6-7)8-3-1-2-4-8/h7-8H,1-6H2,(H,17,19,22)/t7-/m0/s1
InChIKeyRUVPWKWHEFGNMM-ZETCQYMHSA-N
XLogP2.29
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 2985033
CID 2985033
CID 6497389
CID 6497389
CID 6471594
CID 6471594
CID 6497393
CID 6497393
CID 6497395
CID 6497395
CID 6497396
CID 6497396
CID 663967
CID 663967
CID 2991661
CID 2991661
CID 17082633
CID 17082633
CID 139526786
CID 139526786
CID 940931
CID 940931
CID 7336940
CID 7336940

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclopentyl-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-cyclopentyl-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide (CID 9364724) is (3S)-1-cyclopentyl-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-cyclopentyl-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-cyclopentyl-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide is O=C(Nc1nnc(C(F)(F)F)s1)[C@H]1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of (3S)-1-cyclopentyl-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide?
The InChIKey is RUVPWKWHEFGNMM-ZETCQYMHSA-N. The full InChI is InChI=1S/C13H15F3N4O2S/c14-13(15,16)11-18-19-12(23-11)17-10(22)7-5-9(21)20(6-7)8-3-1-2-4-8/h7-8H,1-6H2,(H,17,19,22)/t7-/m0/s1.
What are the key properties of (3S)-1-cyclopentyl-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide?
(3S)-1-cyclopentyl-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide has a molecular weight of 348.35 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclopentyl-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 9364724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).