(3R)-3-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide

C15H25N5O2S2 — CID 94857992

IUPAC(3R)-3-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
SMILESCC[C@@H](C)Sc1nnc(NC(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)s1
InChIInChI=1S/C15H25N5O2S2/c1-5-10(2)23-14-18-17-13(24-14)16-12(21)11-7-6-8-20(9-11)15(22)19(3)4/h10-11H,5-9H2,1-4H3,(H,16,17,21)/t10-,11-/m1/s1
InChIKeyJCADZQUKMPNKHJ-GHMZBOCLSA-N
MW371.53 g/mol
LogP2.76
Rot. Bonds5

About (3R)-3-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide

(3R)-3-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide (PubChem CID 94857992) has the molecular formula C15H25N5O2S2 and a molecular weight of 371.53 g/mol. Its IUPAC name is (3R)-3-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-3-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
PubChem CID94857992
Molecular FormulaC15H25N5O2S2
Molecular Weight371.53 g/mol
Exact Mass371.14
IUPAC Name(3R)-3-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
SMILESCC[C@@H](C)Sc1nnc(NC(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)s1
InChIInChI=1S/C15H25N5O2S2/c1-5-10(2)23-14-18-17-13(24-14)16-12(21)11-7-6-8-20(9-11)15(22)19(3)4/h10-11H,5-9H2,1-4H3,(H,16,17,21)/t10-,11-/m1/s1
InChIKeyJCADZQUKMPNKHJ-GHMZBOCLSA-N
XLogP2.76
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.76
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)-3-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide with MolForge

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Related Compounds

N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide
CID 5181575
3-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 56921381
(3S)-3-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 94857964
3-N-butan-2-yl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 60756324
1-benzoyl-N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 17018993
(3R)-3-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 94161596
N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-phenylpiperidine-4-carboxamide
CID 17152534
1-N,1-N-dimethyl-3-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]piperidine-1,3-dicarboxamide
CID 56921075
3-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 56921245
N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152848
N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 6471374
(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

Frequently Asked Questions

What is the IUPAC name of (3R)-3-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-3-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide (CID 94857992) is (3R)-3-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-3-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-3-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide is CC[C@@H](C)Sc1nnc(NC(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)s1.
What is the InChIKey of (3R)-3-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The InChIKey is JCADZQUKMPNKHJ-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H25N5O2S2/c1-5-10(2)23-14-18-17-13(24-14)16-12(21)11-7-6-8-20(9-11)15(22)19(3)4/h10-11H,5-9H2,1-4H3,(H,16,17,21)/t10-,11-/m1/s1.
What are the key properties of (3R)-3-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
(3R)-3-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide has a molecular weight of 371.53 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-N-[5-[(2R)-butan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 94857992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).