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

C14H22N4O3S — CID 9373458

IUPAC(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCCCc1nnc(NC(=O)[C@@H]2CC(=O)N([C@@H](C)COC)C2)s1
InChIInChI=1S/C14H22N4O3S/c1-4-5-11-16-17-14(22-11)15-13(20)10-6-12(19)18(7-10)9(2)8-21-3/h9-10H,4-8H2,1-3H3,(H,15,17,20)/t9-,10+/m0/s1
InChIKeyRZFRJMYQGXVJFW-VHSXEESVSA-N
MW326.42 g/mol
LogP1.31
Rot. Bonds7

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

(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 9373458) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is (3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID9373458
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC Name(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCCCc1nnc(NC(=O)[C@@H]2CC(=O)N([C@@H](C)COC)C2)s1
InChIInChI=1S/C14H22N4O3S/c1-4-5-11-16-17-14(22-11)15-13(20)10-6-12(19)18(7-10)9(2)8-21-3/h9-10H,4-8H2,1-3H3,(H,15,17,20)/t9-,10+/m0/s1
InChIKeyRZFRJMYQGXVJFW-VHSXEESVSA-N
XLogP1.31
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide (CID 9373458) is (3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide is CCCc1nnc(NC(=O)[C@@H]2CC(=O)N([C@@H](C)COC)C2)s1.
What is the InChIKey of (3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is RZFRJMYQGXVJFW-VHSXEESVSA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-4-5-11-16-17-14(22-11)15-13(20)10-6-12(19)18(7-10)9(2)8-21-3/h9-10H,4-8H2,1-3H3,(H,15,17,20)/t9-,10+/m0/s1.
What are the key properties of (3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 9373458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).