tert-butyl 4-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate

C18H27N3O5S — CID 46524628

IUPACtert-butyl 4-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)Cc1csc(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C18H27N3O5S/c1-5-25-14(22)10-13-11-27-16(19-13)20-15(23)12-6-8-21(9-7-12)17(24)26-18(2,3)4/h11-12H,5-10H2,1-4H3,(H,19,20,23)
InChIKeyHTVZTJXUSCXHJK-UHFFFAOYSA-N
MW397.50 g/mol
LogP2.83
Rot. Bonds5

About tert-butyl 4-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate

tert-butyl 4-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate (PubChem CID 46524628) has the molecular formula C18H27N3O5S and a molecular weight of 397.50 g/mol. Its IUPAC name is tert-butyl 4-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate
PubChem CID46524628
Molecular FormulaC18H27N3O5S
Molecular Weight397.50 g/mol
Exact Mass397.17
IUPAC Nametert-butyl 4-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)Cc1csc(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C18H27N3O5S/c1-5-25-14(22)10-13-11-27-16(19-13)20-15(23)12-6-8-21(9-7-12)17(24)26-18(2,3)4/h11-12H,5-10H2,1-4H3,(H,19,20,23)
InChIKeyHTVZTJXUSCXHJK-UHFFFAOYSA-N
XLogP2.83
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate with MolForge

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Related Compounds

ethyl 2-[2-(cyclopentanecarbonylamino)-1,3-thiazol-4-yl]acetate
CID 43405484
ethyl 2-[2-[(4-tert-butylcyclohexanecarbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 46510209
ethyl 2-[2-(piperidine-4-carbonylamino)-1,3-thiazol-4-yl]acetate;hydrochloride
CID 119262721
1-[2-[2-(cyclopropanecarbonylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
CID 41228231
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-(3-pyrrolidin-1-ylpropanoylamino)-1,3-thiazol-4-yl]acetate
CID 101012113
[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] cyclobutanecarboxylate
CID 8019287
ethyl 2-[2-[[(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 9365290
ethyl 2-[2-[[2-(thian-4-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 80710853
ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,3-thiazole-4-carboxylate
CID 23131099
5-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 2814005
methyl 2-[2-[(1-methylpyrrolidine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 54938697

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate (CID 46524628) is tert-butyl 4-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate is CCOC(=O)Cc1csc(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)n1.
What is the InChIKey of tert-butyl 4-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is HTVZTJXUSCXHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O5S/c1-5-25-14(22)10-13-11-27-16(19-13)20-15(23)12-6-8-21(9-7-12)17(24)26-18(2,3)4/h11-12H,5-10H2,1-4H3,(H,19,20,23).
What are the key properties of tert-butyl 4-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate?
tert-butyl 4-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 397.50 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 46524628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).