methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylate

C15H23N3O4S — CID 59679281

IUPACmethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(N2CCC(NC(=O)OC(C)(C)C)CC2)s1
InChIInChI=1S/C15H23N3O4S/c1-15(2,3)22-14(20)17-10-5-7-18(8-6-10)13-16-9-11(23-13)12(19)21-4/h9-10H,5-8H2,1-4H3,(H,17,20)
InChIKeyLGECKERNZXPGGV-UHFFFAOYSA-N
MW341.43 g/mol
LogP2.42
Rot. Bonds3

About methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylate

methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylate (PubChem CID 59679281) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylate
PubChem CID59679281
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Namemethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(N2CCC(NC(=O)OC(C)(C)C)CC2)s1
InChIInChI=1S/C15H23N3O4S/c1-15(2,3)22-14(20)17-10-5-7-18(8-6-10)13-16-9-11(23-13)12(19)21-4/h9-10H,5-8H2,1-4H3,(H,17,20)
InChIKeyLGECKERNZXPGGV-UHFFFAOYSA-N
XLogP2.42
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

Methyl 2-[4-(4-propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 71522824
Methyl 2-[4-(4-cyclobutylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 71522825
Methyl 2-[(1-acetyl-3-methylpiperidine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 49778448
Ethyl 2-((tert-butoxy(hydroxy)methylidene)amino)-1,3-thiazole-5-carboxylate
CID 7213140
Ethyl 2-(piperazin-1-yl)-1,3-thiazole-5-carboxylate
CID 54595879
Methyl 2-((tert-butoxycarbonyl)amino)thiazole-5-carboxylate
CID 45117879
Methyl 2-[(1,3-dimethylpiperidine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 132467891
Methyl 2-(dicyclohexylcarbamoylamino)-1,3-thiazole-5-carboxylate
CID 11451404
Methyl 2-(piperazin-1-yl)thiazole-5-carboxylate
CID 22831866
Tert-butyl 4-[(5-methyl-1,3-thiazol-2-yl)amino]piperidine-1-carboxylate
CID 23130999
Methyl 2-(4-aminoazepan-1-yl)-1,3-thiazole-5-carboxylate;hydrochloride
CID 25179066
Methyl 2-(4-aminoazepan-1-yl)-1,3-thiazole-5-carboxylate
CID 25179067

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylate (CID 59679281) is methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(N2CCC(NC(=O)OC(C)(C)C)CC2)s1.
What is the InChIKey of methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylate?
The InChIKey is LGECKERNZXPGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-15(2,3)22-14(20)17-10-5-7-18(8-6-10)13-16-9-11(23-13)12(19)21-4/h9-10H,5-8H2,1-4H3,(H,17,20).
What are the key properties of methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylate?
methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylate has a molecular weight of 341.43 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 59679281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).