(3R)-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide

C15H24N4O2S2 — CID 7438375

IUPAC(3R)-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
SMILESCC[C@@H](C)Sc1nnc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)s1
InChIInChI=1S/C15H24N4O2S2/c1-6-9(2)22-14-18-17-13(23-14)16-12(21)10-7-11(20)19(8-10)15(3,4)5/h9-10H,6-8H2,1-5H3,(H,16,17,21)/t9-,10-/m1/s1
InChIKeyRZBFEUICKYAPTD-NXEZZACHSA-N
MW356.52 g/mol
LogP3.01
Rot. Bonds5

About (3R)-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide

(3R)-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 7438375) has the molecular formula C15H24N4O2S2 and a molecular weight of 356.52 g/mol. Its IUPAC name is (3R)-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
PubChem CID7438375
Molecular FormulaC15H24N4O2S2
Molecular Weight356.52 g/mol
Exact Mass356.13
IUPAC Name(3R)-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
SMILESCC[C@@H](C)Sc1nnc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)s1
InChIInChI=1S/C15H24N4O2S2/c1-6-9(2)22-14-18-17-13(23-14)16-12(21)10-7-11(20)19(8-10)15(3,4)5/h9-10H,6-8H2,1-5H3,(H,16,17,21)/t9-,10-/m1/s1
InChIKeyRZBFEUICKYAPTD-NXEZZACHSA-N
XLogP3.01
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.52
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3R)-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butyl-N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-oxopyrrolidine-3-carboxamide
CID 6472199
1-cyclopentyl-N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-oxopyrrolidine-3-carboxamide
CID 6497397
1-{[(5-amino-1,3,4-thiadiazol-2-yl)thio]acetyl}-N-ethylpyrrolidine-3-carboxamide
CID 46994099
N-(5-{[(Diisopropylcarbamoyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-YL)butanamide
CID 1462643
N-(5-{[(Diisopropylcarbamoyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-YL)-2-methylpropanamide
CID 1462644
N-(5-{[(Diisopropylcarbamoyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-YL)cyclopropanecarboxamide
CID 1462646
N-(5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide
CID 1470521
N-(5-{[(Diisopropylcarbamoyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-YL)-2-methylbutanamide
CID 3220508
1-tert-butyl-5-oxo-N-[5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 6497365
1-(Tert-butyl)-3-(5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-1,3,4-thiadiazol-2-yl)urea
CID 7385332
1-tert-butyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 16487502
1-[2-[[5-(Tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]pyrrolidin-2-one
CID 17415678

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide (CID 7438375) is (3R)-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide is CC[C@@H](C)Sc1nnc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)s1.
What is the InChIKey of (3R)-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RZBFEUICKYAPTD-NXEZZACHSA-N. The full InChI is InChI=1S/C15H24N4O2S2/c1-6-9(2)22-14-18-17-13(23-14)16-12(21)10-7-11(20)19(8-10)15(3,4)5/h9-10H,6-8H2,1-5H3,(H,16,17,21)/t9-,10-/m1/s1.
What are the key properties of (3R)-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 356.52 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 7438375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).