N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide

C15H24N4O3S2 — CID 6471374

IUPACN-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCCC(C)Sc1nnc(NC(=O)C2CC(=O)N(C(C)COC)C2)s1
InChIInChI=1S/C15H24N4O3S2/c1-5-10(3)23-15-18-17-14(24-15)16-13(21)11-6-12(20)19(7-11)9(2)8-22-4/h9-11H,5-8H2,1-4H3,(H,16,17,21)
InChIKeyJOQNWGLCEGIOKR-UHFFFAOYSA-N
MW372.52 g/mol
LogP2.25
Rot. Bonds8

About N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide

N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 6471374) has the molecular formula C15H24N4O3S2 and a molecular weight of 372.52 g/mol. Its IUPAC name is N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID6471374
Molecular FormulaC15H24N4O3S2
Molecular Weight372.52 g/mol
Exact Mass372.13
IUPAC NameN-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCCC(C)Sc1nnc(NC(=O)C2CC(=O)N(C(C)COC)C2)s1
InChIInChI=1S/C15H24N4O3S2/c1-5-10(3)23-15-18-17-14(24-15)16-13(21)11-6-12(20)19(7-11)9(2)8-22-4/h9-11H,5-8H2,1-4H3,(H,16,17,21)
InChIKeyJOQNWGLCEGIOKR-UHFFFAOYSA-N
XLogP2.25
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 7438470
(3S)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-[5-[(2S)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 7438469
(3S)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 9373414
(3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 9365269
N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide
CID 5181575
N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120997
(3R)-N-[5-[(2S)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7483501
(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 9373803
(3S)-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365380
N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17151965
(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 9373740
(3S)-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9373758

Frequently Asked Questions

What is the IUPAC name of N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide (CID 6471374) is N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide is CCC(C)Sc1nnc(NC(=O)C2CC(=O)N(C(C)COC)C2)s1.
What is the InChIKey of N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JOQNWGLCEGIOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S2/c1-5-10(3)23-15-18-17-14(24-15)16-13(21)11-6-12(20)19(7-11)9(2)8-22-4/h9-11H,5-8H2,1-4H3,(H,16,17,21).
What are the key properties of N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide?
N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 372.52 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 6471374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).