(2R)-1-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide

C13H16F3N5O2S — CID 52514039

IUPAC(2R)-1-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide
SMILESO=C(NCC(F)(F)F)[C@H]1CCCN1C(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C13H16F3N5O2S/c14-13(15,16)6-17-9(22)8-2-1-5-21(8)12(23)18-11-20-19-10(24-11)7-3-4-7/h7-8H,1-6H2,(H,17,22)(H,18,20,23)/t8-/m1/s1
InChIKeyPRMUYQNAUBOYTN-MRVPVSSYSA-N
MW363.37 g/mol
LogP2.09
Rot. Bonds4

About (2R)-1-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide

(2R)-1-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 52514039) has the molecular formula C13H16F3N5O2S and a molecular weight of 363.37 g/mol. Its IUPAC name is (2R)-1-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-1-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide
PubChem CID52514039
Molecular FormulaC13H16F3N5O2S
Molecular Weight363.37 g/mol
Exact Mass363.10
IUPAC Name(2R)-1-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide
SMILESO=C(NCC(F)(F)F)[C@H]1CCCN1C(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C13H16F3N5O2S/c14-13(15,16)6-17-9(22)8-2-1-5-21(8)12(23)18-11-20-19-10(24-11)7-3-4-7/h7-8H,1-6H2,(H,17,22)(H,18,20,23)/t8-/m1/s1
InChIKeyPRMUYQNAUBOYTN-MRVPVSSYSA-N
XLogP2.09
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R)-1-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide (CID 52514039) is (2R)-1-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R)-1-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R)-1-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide is O=C(NCC(F)(F)F)[C@H]1CCCN1C(=O)Nc1nnc(C2CC2)s1.
What is the InChIKey of (2R)-1-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is PRMUYQNAUBOYTN-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H16F3N5O2S/c14-13(15,16)6-17-9(22)8-2-1-5-21(8)12(23)18-11-20-19-10(24-11)7-3-4-7/h7-8H,1-6H2,(H,17,22)(H,18,20,23)/t8-/m1/s1.
What are the key properties of (2R)-1-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide?
(2R)-1-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 363.37 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 52514039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).