tert-butyl 4-[[4-methyl-5-(methylcarbamoyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate

C16H26N4O3S — CID 23131018

IUPACtert-butyl 4-[[4-methyl-5-(methylcarbamoyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate
SMILESCNC(=O)c1sc(NC2CCN(C(=O)OC(C)(C)C)CC2)nc1C
InChIInChI=1S/C16H26N4O3S/c1-10-12(13(21)17-5)24-14(18-10)19-11-6-8-20(9-7-11)15(22)23-16(2,3)4/h11H,6-9H2,1-5H3,(H,17,21)(H,18,19)
InChIKeyZZFAFEFPMFALLG-UHFFFAOYSA-N
MW354.48 g/mol
LogP2.62
Rot. Bonds3

About tert-butyl 4-[[4-methyl-5-(methylcarbamoyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate

tert-butyl 4-[[4-methyl-5-(methylcarbamoyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate (PubChem CID 23131018) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is tert-butyl 4-[[4-methyl-5-(methylcarbamoyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[4-methyl-5-(methylcarbamoyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate
PubChem CID23131018
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC Nametert-butyl 4-[[4-methyl-5-(methylcarbamoyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate
SMILESCNC(=O)c1sc(NC2CCN(C(=O)OC(C)(C)C)CC2)nc1C
InChIInChI=1S/C16H26N4O3S/c1-10-12(13(21)17-5)24-14(18-10)19-11-6-8-20(9-7-11)15(22)23-16(2,3)4/h11H,6-9H2,1-5H3,(H,17,21)(H,18,19)
InChIKeyZZFAFEFPMFALLG-UHFFFAOYSA-N
XLogP2.62
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[4-methyl-5-(methylcarbamoyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[4-methyl-5-(methylcarbamoyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate (CID 23131018) is tert-butyl 4-[[4-methyl-5-(methylcarbamoyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[4-methyl-5-(methylcarbamoyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[4-methyl-5-(methylcarbamoyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate is CNC(=O)c1sc(NC2CCN(C(=O)OC(C)(C)C)CC2)nc1C.
What is the InChIKey of tert-butyl 4-[[4-methyl-5-(methylcarbamoyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate?
The InChIKey is ZZFAFEFPMFALLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-10-12(13(21)17-5)24-14(18-10)19-11-6-8-20(9-7-11)15(22)23-16(2,3)4/h11H,6-9H2,1-5H3,(H,17,21)(H,18,19).
What are the key properties of tert-butyl 4-[[4-methyl-5-(methylcarbamoyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate?
tert-butyl 4-[[4-methyl-5-(methylcarbamoyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate has a molecular weight of 354.48 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[4-methyl-5-(methylcarbamoyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 23131018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).