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

C17H29N3O2S — CID 104955758

IUPACtert-butyl 2-methyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate
SMILESCc1ncsc1C(C)NC1CCCN(C(=O)OC(C)(C)C)C1C
InChIInChI=1S/C17H29N3O2S/c1-11-15(23-10-18-11)12(2)19-14-8-7-9-20(13(14)3)16(21)22-17(4,5)6/h10,12-14,19H,7-9H2,1-6H3
InChIKeyLQFSWBHKYDYVDY-UHFFFAOYSA-N
MW339.51 g/mol
LogP3.89
Rot. Bonds3

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

tert-butyl 2-methyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate (PubChem CID 104955758) has the molecular formula C17H29N3O2S and a molecular weight of 339.51 g/mol. Its IUPAC name is tert-butyl 2-methyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-methyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate
PubChem CID104955758
Molecular FormulaC17H29N3O2S
Molecular Weight339.51 g/mol
Exact Mass339.20
IUPAC Nametert-butyl 2-methyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate
SMILESCc1ncsc1C(C)NC1CCCN(C(=O)OC(C)(C)C)C1C
InChIInChI=1S/C17H29N3O2S/c1-11-15(23-10-18-11)12(2)19-14-8-7-9-20(13(14)3)16(21)22-17(4,5)6/h10,12-14,19H,7-9H2,1-6H3
InChIKeyLQFSWBHKYDYVDY-UHFFFAOYSA-N
XLogP3.89
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-methyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate
CID 107094437
tert-butyl 2-methyl-3-(propan-2-ylamino)piperidine-1-carboxylate
CID 104955716
tert-butyl 2-methyl-3-[1-(5-methylthiophen-2-yl)ethylamino]piperidine-1-carboxylate
CID 107256654
tert-butyl 3-[1-(5-bromothiophen-2-yl)ethylamino]-2-methylpiperidine-1-carboxylate
CID 107256789
tert-butyl 3-[1-(furan-3-yl)ethylamino]-2-methylpiperidine-1-carboxylate
CID 104955747
2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]propanoic acid
CID 107256740
tert-butyl 2-methyl-3-(2-methylpentan-3-ylamino)piperidine-1-carboxylate
CID 107256769
tert-butyl 2-methyl-3-(3-methylpentan-2-ylamino)piperidine-1-carboxylate
CID 107256753
tert-butyl 2-methyl-3-(1,3-thiazol-2-ylmethylamino)piperidine-1-carboxylate
CID 104954266
tert-butyl 2-methyl-3-(pentan-2-ylamino)piperidine-1-carboxylate
CID 104955728
tert-butyl (2R,3S)-3-[(1,5-dimethylpyrazole-3-carbonyl)amino]-2-methylpiperidine-1-carboxylate
CID 99787872
tert-butyl 2-methyl-3-[1-(oxolan-3-yl)ethylamino]piperidine-1-carboxylate
CID 104955738

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-methyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate (CID 104955758) is tert-butyl 2-methyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-methyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-methyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate is Cc1ncsc1C(C)NC1CCCN(C(=O)OC(C)(C)C)C1C.
What is the InChIKey of tert-butyl 2-methyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate?
The InChIKey is LQFSWBHKYDYVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2S/c1-11-15(23-10-18-11)12(2)19-14-8-7-9-20(13(14)3)16(21)22-17(4,5)6/h10,12-14,19H,7-9H2,1-6H3.
What are the key properties of tert-butyl 2-methyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate?
tert-butyl 2-methyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate has a molecular weight of 339.51 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate is sourced from PubChem (CID 104955758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).