tert-butyl 4-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]piperidine-1-carboxylate

C17H29N3O2S — CID 56827319

IUPACtert-butyl 4-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]piperidine-1-carboxylate
SMILESCC(C)c1nc(CNC2CCN(C(=O)OC(C)(C)C)CC2)cs1
InChIInChI=1S/C17H29N3O2S/c1-12(2)15-19-14(11-23-15)10-18-13-6-8-20(9-7-13)16(21)22-17(3,4)5/h11-13,18H,6-10H2,1-5H3
InChIKeyDTCXWMXHECJUJO-UHFFFAOYSA-N
MW339.50 g/mol
LogP3.76
Rot. Bonds4

About tert-butyl 4-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]piperidine-1-carboxylate

tert-butyl 4-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]piperidine-1-carboxylate (PubChem CID 56827319) has the molecular formula C17H29N3O2S and a molecular weight of 339.50 g/mol. Its IUPAC name is tert-butyl 4-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]piperidine-1-carboxylate
PubChem CID56827319
Molecular FormulaC17H29N3O2S
Molecular Weight339.50 g/mol
Exact Mass339.20
IUPAC Nametert-butyl 4-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]piperidine-1-carboxylate
SMILESCC(C)c1nc(CNC2CCN(C(=O)OC(C)(C)C)CC2)cs1
InChIInChI=1S/C17H29N3O2S/c1-12(2)15-19-14(11-23-15)10-18-13-6-8-20(9-7-13)16(21)22-17(3,4)5/h11-13,18H,6-10H2,1-5H3
InChIKeyDTCXWMXHECJUJO-UHFFFAOYSA-N
XLogP3.76
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.50
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4-[[4-(2-methylpropanoylamino)piperidin-1-yl]methyl]-1,3-thiazole-2-carboxylate
CID 51087087
tert-butyl (2S)-2-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]pyrrolidine-1-carboxylate
CID 51090958
1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-4-carboxamide
CID 53518138
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-4-carboxamide
CID 53519126
1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-4-carboxamide
CID 53519583
2-[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-N-propylacetamide
CID 53531859
Tert-butyl 3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]piperidine-1-carboxylate
CID 53604515
Tert-butyl 3-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]piperidine-1-carboxylate
CID 53606147
Methyl 3-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]piperidine-1-carboxylate
CID 53610883
Tert-butyl 4-[methyl(1,3-thiazol-4-ylmethyl)amino]piperidine-1-carboxylate
CID 71862833
tert-butyl N-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]piperidin-4-yl]carbamate
CID 71892966
N-[[1-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]methyl]acetamide
CID 72008390

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]piperidine-1-carboxylate (CID 56827319) is tert-butyl 4-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]piperidine-1-carboxylate is CC(C)c1nc(CNC2CCN(C(=O)OC(C)(C)C)CC2)cs1.
What is the InChIKey of tert-butyl 4-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]piperidine-1-carboxylate?
The InChIKey is DTCXWMXHECJUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2S/c1-12(2)15-19-14(11-23-15)10-18-13-6-8-20(9-7-13)16(21)22-17(3,4)5/h11-13,18H,6-10H2,1-5H3.
What are the key properties of tert-butyl 4-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]piperidine-1-carboxylate?
tert-butyl 4-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]piperidine-1-carboxylate has a molecular weight of 339.50 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]piperidine-1-carboxylate is sourced from PubChem (CID 56827319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).