methyl (2R)-1-(4-ethylthiadiazole-5-carbonyl)piperidine-2-carboxylate

C12H17N3O3S — CID 79833093

IUPACmethyl (2R)-1-(4-ethylthiadiazole-5-carbonyl)piperidine-2-carboxylate
SMILESCCc1nnsc1C(=O)N1CCCC[C@@H]1C(=O)OC
InChIInChI=1S/C12H17N3O3S/c1-3-8-10(19-14-13-8)11(16)15-7-5-4-6-9(15)12(17)18-2/h9H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyMIPZCXYEYCDKEF-SECBINFHSA-N
MW283.35 g/mol
LogP1.27
Rot. Bonds3

About methyl (2R)-1-(4-ethylthiadiazole-5-carbonyl)piperidine-2-carboxylate

methyl (2R)-1-(4-ethylthiadiazole-5-carbonyl)piperidine-2-carboxylate (PubChem CID 79833093) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is methyl (2R)-1-(4-ethylthiadiazole-5-carbonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-(4-ethylthiadiazole-5-carbonyl)piperidine-2-carboxylate
PubChem CID79833093
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Namemethyl (2R)-1-(4-ethylthiadiazole-5-carbonyl)piperidine-2-carboxylate
SMILESCCc1nnsc1C(=O)N1CCCC[C@@H]1C(=O)OC
InChIInChI=1S/C12H17N3O3S/c1-3-8-10(19-14-13-8)11(16)15-7-5-4-6-9(15)12(17)18-2/h9H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyMIPZCXYEYCDKEF-SECBINFHSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(4-ethylthiadiazole-5-carbonyl)piperidine-3-carboxylate
CID 78919199
(4-ethylthiadiazol-5-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119649161
3-amino-N-[[1-(4-ethylthiadiazole-5-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579438
N'-hydroxy-1-(4-propylthiadiazole-5-carbonyl)pyrrolidine-2-carboximidamide
CID 77059648
methyl 1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidine-2-carboxylate
CID 51112610
[2-(aminomethyl)piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 65209829
[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 51594322
N-cyclopentyl-4-ethylthiadiazole-5-carboxamide
CID 51204913
methyl (2R)-1-(pyrimidine-5-carbonyl)piperidine-2-carboxylate
CID 104626640
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 79028325
[(3aS,5R,7aR)-5-methoxy-3a-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 110126343
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone;hydrochloride
CID 119622207

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-(4-ethylthiadiazole-5-carbonyl)piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-(4-ethylthiadiazole-5-carbonyl)piperidine-2-carboxylate (CID 79833093) is methyl (2R)-1-(4-ethylthiadiazole-5-carbonyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-(4-ethylthiadiazole-5-carbonyl)piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-(4-ethylthiadiazole-5-carbonyl)piperidine-2-carboxylate is CCc1nnsc1C(=O)N1CCCC[C@@H]1C(=O)OC.
What is the InChIKey of methyl (2R)-1-(4-ethylthiadiazole-5-carbonyl)piperidine-2-carboxylate?
The InChIKey is MIPZCXYEYCDKEF-SECBINFHSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-3-8-10(19-14-13-8)11(16)15-7-5-4-6-9(15)12(17)18-2/h9H,3-7H2,1-2H3/t9-/m1/s1.
What are the key properties of methyl (2R)-1-(4-ethylthiadiazole-5-carbonyl)piperidine-2-carboxylate?
methyl (2R)-1-(4-ethylthiadiazole-5-carbonyl)piperidine-2-carboxylate has a molecular weight of 283.35 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-(4-ethylthiadiazole-5-carbonyl)piperidine-2-carboxylate is sourced from PubChem (CID 79833093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).