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

C12H15F3N4O3S — CID 9365374

IUPAC(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
SMILESCOC[C@@H](C)N1C[C@H](C(=O)Nc2nnc(C(F)(F)F)s2)CC1=O
InChIInChI=1S/C12H15F3N4O3S/c1-6(5-22-2)19-4-7(3-8(19)20)9(21)16-11-18-17-10(23-11)12(13,14)15/h6-7H,3-5H2,1-2H3,(H,16,18,21)/t6-,7-/m1/s1
InChIKeyQXOVGYIMXWCDRO-RNFRBKRXSA-N
MW352.34 g/mol
LogP1.38
Rot. Bonds5

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

(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide (PubChem CID 9365374) has the molecular formula C12H15F3N4O3S and a molecular weight of 352.34 g/mol. Its IUPAC name is (3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
PubChem CID9365374
Molecular FormulaC12H15F3N4O3S
Molecular Weight352.34 g/mol
Exact Mass352.08
IUPAC Name(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
SMILESCOC[C@@H](C)N1C[C@H](C(=O)Nc2nnc(C(F)(F)F)s2)CC1=O
InChIInChI=1S/C12H15F3N4O3S/c1-6(5-22-2)19-4-7(3-8(19)20)9(21)16-11-18-17-10(23-11)12(13,14)15/h6-7H,3-5H2,1-2H3,(H,16,18,21)/t6-,7-/m1/s1
InChIKeyQXOVGYIMXWCDRO-RNFRBKRXSA-N
XLogP1.38
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide (CID 9365374) is (3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide is COC[C@@H](C)N1C[C@H](C(=O)Nc2nnc(C(F)(F)F)s2)CC1=O.
What is the InChIKey of (3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide?
The InChIKey is QXOVGYIMXWCDRO-RNFRBKRXSA-N. The full InChI is InChI=1S/C12H15F3N4O3S/c1-6(5-22-2)19-4-7(3-8(19)20)9(21)16-11-18-17-10(23-11)12(13,14)15/h6-7H,3-5H2,1-2H3,(H,16,18,21)/t6-,7-/m1/s1.
What are the key properties of (3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide?
(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide has a molecular weight of 352.34 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 9365374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).