(3S)-1-[(2S)-1-methoxypropan-2-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide

C15H24N4O3S — CID 9365394

IUPAC(3S)-1-[(2S)-1-methoxypropan-2-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCOC[C@H](C)N1C[C@@H](C(=O)Nc2nnc(CC(C)C)s2)CC1=O
InChIInChI=1S/C15H24N4O3S/c1-9(2)5-12-17-18-15(23-12)16-14(21)11-6-13(20)19(7-11)10(3)8-22-4/h9-11H,5-8H2,1-4H3,(H,16,18,21)/t10-,11-/m0/s1
InChIKeyGWFPGZIRBCHAFD-QWRGUYRKSA-N
MW340.45 g/mol
LogP1.56
Rot. Bonds7

About (3S)-1-[(2S)-1-methoxypropan-2-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-[(2S)-1-methoxypropan-2-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 9365394) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is (3S)-1-[(2S)-1-methoxypropan-2-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(2S)-1-methoxypropan-2-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID9365394
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Name(3S)-1-[(2S)-1-methoxypropan-2-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCOC[C@H](C)N1C[C@@H](C(=O)Nc2nnc(CC(C)C)s2)CC1=O
InChIInChI=1S/C15H24N4O3S/c1-9(2)5-12-17-18-15(23-12)16-14(21)11-6-13(20)19(7-11)10(3)8-22-4/h9-11H,5-8H2,1-4H3,(H,16,18,21)/t10-,11-/m0/s1
InChIKeyGWFPGZIRBCHAFD-QWRGUYRKSA-N
XLogP1.56
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2S)-1-methoxypropan-2-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[(2S)-1-methoxypropan-2-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide (CID 9365394) is (3S)-1-[(2S)-1-methoxypropan-2-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(2S)-1-methoxypropan-2-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(2S)-1-methoxypropan-2-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide is COC[C@H](C)N1C[C@@H](C(=O)Nc2nnc(CC(C)C)s2)CC1=O.
What is the InChIKey of (3S)-1-[(2S)-1-methoxypropan-2-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GWFPGZIRBCHAFD-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-9(2)5-12-17-18-15(23-12)16-14(21)11-6-13(20)19(7-11)10(3)8-22-4/h9-11H,5-8H2,1-4H3,(H,16,18,21)/t10-,11-/m0/s1.
What are the key properties of (3S)-1-[(2S)-1-methoxypropan-2-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-[(2S)-1-methoxypropan-2-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2S)-1-methoxypropan-2-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9365394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).