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

C16H26N4O3S — CID 41168591

IUPAC(3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCCC(CC)c1nnc(NC(=O)[C@H]2CC(=O)N([C@H](C)COC)C2)s1
InChIInChI=1S/C16H26N4O3S/c1-5-11(6-2)15-18-19-16(24-15)17-14(22)12-7-13(21)20(8-12)10(3)9-23-4/h10-12H,5-9H2,1-4H3,(H,17,19,22)/t10-,12+/m1/s1
InChIKeyNOWLLIHUVLMWON-PWSUYJOCSA-N
MW354.48 g/mol
LogP2.26
Rot. Bonds8

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

(3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 41168591) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is (3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID41168591
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC Name(3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCCC(CC)c1nnc(NC(=O)[C@H]2CC(=O)N([C@H](C)COC)C2)s1
InChIInChI=1S/C16H26N4O3S/c1-5-11(6-2)15-18-19-16(24-15)17-14(22)12-7-13(21)20(8-12)10(3)9-23-4/h10-12H,5-9H2,1-4H3,(H,17,19,22)/t10-,12+/m1/s1
InChIKeyNOWLLIHUVLMWON-PWSUYJOCSA-N
XLogP2.26
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide (CID 41168591) is (3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide is CCC(CC)c1nnc(NC(=O)[C@H]2CC(=O)N([C@H](C)COC)C2)s1.
What is the InChIKey of (3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is NOWLLIHUVLMWON-PWSUYJOCSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-5-11(6-2)15-18-19-16(24-15)17-14(22)12-7-13(21)20(8-12)10(3)9-23-4/h10-12H,5-9H2,1-4H3,(H,17,19,22)/t10-,12+/m1/s1.
What are the key properties of (3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
(3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 354.48 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 41168591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).