ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,3-thiazole-4-carboxylate

C16H25N3O4S — CID 23131099

IUPACethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C16H25N3O4S/c1-5-22-13(20)12-10-24-14(18-12)17-11-6-8-19(9-7-11)15(21)23-16(2,3)4/h10-11H,5-9H2,1-4H3,(H,17,18)
InChIKeyAHEJXKSBQOVOMT-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.13
Rot. Bonds4

About ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,3-thiazole-4-carboxylate

ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,3-thiazole-4-carboxylate (PubChem CID 23131099) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,3-thiazole-4-carboxylate
PubChem CID23131099
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Nameethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C16H25N3O4S/c1-5-22-13(20)12-10-24-14(18-12)17-11-6-8-19(9-7-11)15(21)23-16(2,3)4/h10-11H,5-9H2,1-4H3,(H,17,18)
InChIKeyAHEJXKSBQOVOMT-UHFFFAOYSA-N
XLogP3.13
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazole-4-carboxylate
CID 53418800
ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,3-benzothiazole-6-carboxylate
CID 86612184
ethyl 2-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl]-1,3-thiazole-4-carboxylate
CID 154369201
ethyl 6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]pyridine-2-carboxylate
CID 59406435
ethyl 4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate
CID 3731955
ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylate;ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazole-4-carboxylate
CID 69255413
ethyl 2-[[4-(cyclopropylamino)-4-oxobutyl]amino]-1,3-thiazole-4-carboxylate
CID 80569352
tert-butyl 4-[(4-methylthiophen-3-yl)amino]piperidine-1-carboxylate
CID 167931452
tert-butyl 4-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate
CID 46524628
ethyl 4-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate
CID 60529056
ethyl 2-[(2,2-dimethylcyclopropyl)amino]-1,3-thiazole-4-carboxylate
CID 80569140
ethyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1,3-thiazole-4-carboxylate
CID 80568379

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,3-thiazole-4-carboxylate (CID 23131099) is ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC2CCN(C(=O)OC(C)(C)C)CC2)n1.
What is the InChIKey of ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,3-thiazole-4-carboxylate?
The InChIKey is AHEJXKSBQOVOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-5-22-13(20)12-10-24-14(18-12)17-11-6-8-19(9-7-11)15(21)23-16(2,3)4/h10-11H,5-9H2,1-4H3,(H,17,18).
What are the key properties of ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,3-thiazole-4-carboxylate has a molecular weight of 355.46 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 23131099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).