ethyl 1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate

C13H21N3O2S — CID 133365960

IUPACethyl 1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nnc(C(C)C)s2)CC1
InChIInChI=1S/C13H21N3O2S/c1-4-18-12(17)10-5-7-16(8-6-10)13-15-14-11(19-13)9(2)3/h9-10H,4-8H2,1-3H3
InChIKeyKRSXTYOUDKPWMY-UHFFFAOYSA-N
MW283.40 g/mol
LogP2.44
Rot. Bonds4

About ethyl 1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate

ethyl 1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate (PubChem CID 133365960) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is ethyl 1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate
PubChem CID133365960
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Nameethyl 1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nnc(C(C)C)s2)CC1
InChIInChI=1S/C13H21N3O2S/c1-4-18-12(17)10-5-7-16(8-6-10)13-15-14-11(19-13)9(2)3/h9-10H,4-8H2,1-3H3
InChIKeyKRSXTYOUDKPWMY-UHFFFAOYSA-N
XLogP2.44
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate
CID 64914175
ethyl 1-[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxylate
CID 20886395
ethyl 1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidine-4-carboxylate
CID 30756005
[1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanesulfonamide
CID 136514994
ethyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxylate
CID 65208891
ethyl 2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carbonyl]amino]acetate
CID 133394837
N-tert-butyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 155799761
methyl 1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate
CID 146382334
ethyl 1-(1-aminoethyl)piperidine-4-carboxylate
CID 142132349
ethyl 1-(5-chloro-1,2,4-thiadiazol-3-yl)piperidine-4-carboxylate
CID 68775709
ethyl 1-butan-2-ylpiperidine-4-carboxylate
CID 62027270
1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid
CID 65209414

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate (CID 133365960) is ethyl 1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate is CCOC(=O)C1CCN(c2nnc(C(C)C)s2)CC1.
What is the InChIKey of ethyl 1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate?
The InChIKey is KRSXTYOUDKPWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-4-18-12(17)10-5-7-16(8-6-10)13-15-14-11(19-13)9(2)3/h9-10H,4-8H2,1-3H3.
What are the key properties of ethyl 1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate?
ethyl 1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate has a molecular weight of 283.40 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate is sourced from PubChem (CID 133365960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).