methyl 1-(4-ethylthiadiazole-5-carbonyl)piperidine-3-carboxylate

C12H17N3O3S — CID 78919199

IUPACmethyl 1-(4-ethylthiadiazole-5-carbonyl)piperidine-3-carboxylate
SMILESCCc1nnsc1C(=O)N1CCCC(C(=O)OC)C1
InChIInChI=1S/C12H17N3O3S/c1-3-9-10(19-14-13-9)11(16)15-6-4-5-8(7-15)12(17)18-2/h8H,3-7H2,1-2H3
InChIKeyCOWODCXCVLGKPN-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.13
Rot. Bonds3

About methyl 1-(4-ethylthiadiazole-5-carbonyl)piperidine-3-carboxylate

methyl 1-(4-ethylthiadiazole-5-carbonyl)piperidine-3-carboxylate (PubChem CID 78919199) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is methyl 1-(4-ethylthiadiazole-5-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-ethylthiadiazole-5-carbonyl)piperidine-3-carboxylate
PubChem CID78919199
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Namemethyl 1-(4-ethylthiadiazole-5-carbonyl)piperidine-3-carboxylate
SMILESCCc1nnsc1C(=O)N1CCCC(C(=O)OC)C1
InChIInChI=1S/C12H17N3O3S/c1-3-9-10(19-14-13-9)11(16)15-6-4-5-8(7-15)12(17)18-2/h8H,3-7H2,1-2H3
InChIKeyCOWODCXCVLGKPN-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid
CID 65206261
(3S)-1-(4-ethylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 124512511
methyl (2R)-1-(4-ethylthiadiazole-5-carbonyl)piperidine-2-carboxylate
CID 79833093
1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carbothioamide
CID 65205177
2-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-3-yl]acetic acid
CID 65206136
(4-ethylthiadiazol-5-yl)-[(3S)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
CID 39984969
ethyl (3S)-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-3-carboxylate
CID 115535606
(4-ethylthiadiazol-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119543322
methyl 1-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate
CID 115533013
[(3R)-3-aminopiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 102983632
(3-aminopiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 65210383
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone;hydrochloride
CID 119622207

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-ethylthiadiazole-5-carbonyl)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(4-ethylthiadiazole-5-carbonyl)piperidine-3-carboxylate (CID 78919199) is methyl 1-(4-ethylthiadiazole-5-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(4-ethylthiadiazole-5-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(4-ethylthiadiazole-5-carbonyl)piperidine-3-carboxylate is CCc1nnsc1C(=O)N1CCCC(C(=O)OC)C1.
What is the InChIKey of methyl 1-(4-ethylthiadiazole-5-carbonyl)piperidine-3-carboxylate?
The InChIKey is COWODCXCVLGKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-3-9-10(19-14-13-9)11(16)15-6-4-5-8(7-15)12(17)18-2/h8H,3-7H2,1-2H3.
What are the key properties of methyl 1-(4-ethylthiadiazole-5-carbonyl)piperidine-3-carboxylate?
methyl 1-(4-ethylthiadiazole-5-carbonyl)piperidine-3-carboxylate has a molecular weight of 283.35 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-ethylthiadiazole-5-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 78919199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).