ethyl (3S)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylate

C12H17N3O3S — CID 7576717

IUPACethyl (3S)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C(=O)c2snnc2C)C1
InChIInChI=1S/C12H17N3O3S/c1-3-18-12(17)9-5-4-6-15(7-9)11(16)10-8(2)13-14-19-10/h9H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyFAPUFJTZKBKILD-VIFPVBQESA-N
MW283.35 g/mol
LogP1.26
Rot. Bonds3

About ethyl (3S)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylate

ethyl (3S)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylate (PubChem CID 7576717) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is ethyl (3S)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylate
PubChem CID7576717
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Nameethyl (3S)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C(=O)c2snnc2C)C1
InChIInChI=1S/C12H17N3O3S/c1-3-18-12(17)9-5-4-6-15(7-9)11(16)10-8(2)13-14-19-10/h9H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyFAPUFJTZKBKILD-VIFPVBQESA-N
XLogP1.26
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl (3S)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylate (CID 7576717) is ethyl (3S)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylate is CCOC(=O)[C@H]1CCCN(C(=O)c2snnc2C)C1.
What is the InChIKey of ethyl (3S)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylate?
The InChIKey is FAPUFJTZKBKILD-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-3-18-12(17)9-5-4-6-15(7-9)11(16)10-8(2)13-14-19-10/h9H,3-7H2,1-2H3/t9-/m0/s1.
What are the key properties of ethyl (3S)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylate?
ethyl (3S)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylate has a molecular weight of 283.35 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 7576717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).