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

C17H29N3O2S — CID 107094437

IUPACtert-butyl 2-methyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate
SMILESCc1ncsc1C(C)NC1CCN(C(=O)OC(C)(C)C)C(C)C1
InChIInChI=1S/C17H29N3O2S/c1-11-9-14(19-13(3)15-12(2)18-10-23-15)7-8-20(11)16(21)22-17(4,5)6/h10-11,13-14,19H,7-9H2,1-6H3
InChIKeyUJJDAIZWZRNTRA-UHFFFAOYSA-N
MW339.51 g/mol
LogP3.89
Rot. Bonds3

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

tert-butyl 2-methyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate (PubChem CID 107094437) has the molecular formula C17H29N3O2S and a molecular weight of 339.51 g/mol. Its IUPAC name is tert-butyl 2-methyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-methyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate
PubChem CID107094437
Molecular FormulaC17H29N3O2S
Molecular Weight339.51 g/mol
Exact Mass339.20
IUPAC Nametert-butyl 2-methyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate
SMILESCc1ncsc1C(C)NC1CCN(C(=O)OC(C)(C)C)C(C)C1
InChIInChI=1S/C17H29N3O2S/c1-11-9-14(19-13(3)15-12(2)18-10-23-15)7-8-20(11)16(21)22-17(4,5)6/h10-11,13-14,19H,7-9H2,1-6H3
InChIKeyUJJDAIZWZRNTRA-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-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate
CID 104955758
tert-butyl 2-methyl-4-[1-(1H-pyrazol-5-yl)ethylamino]piperidine-1-carboxylate
CID 107255144
tert-butyl 4-(3-methoxybutan-2-ylamino)-2-methylpiperidine-1-carboxylate
CID 107094441
1-tert-butyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-amine
CID 54866710
tert-butyl (2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 95913489
tert-butyl 4-(cycloheptylamino)-2-methylpiperidine-1-carboxylate
CID 107094439
tert-butyl 2-methyl-4-[(1-methylimidazol-2-yl)methylamino]piperidine-1-carboxylate
CID 107095292
tert-butyl 4-(1H-imidazol-2-ylmethylamino)-2-methylpiperidine-1-carboxylate
CID 107095228
tert-butyl 4-[(4-chlorothiophen-2-yl)methylamino]-2-methylpiperidine-1-carboxylate
CID 107166945
tert-butyl 2-methyl-4-(oxan-4-ylamino)piperidine-1-carboxylate
CID 107094474
tert-butyl 5-(4-methyl-1,3-thiazol-5-yl)-2,5-diazabicyclo[4.1.0]heptane-2-carboxylate
CID 171506199
tert-butyl 4-(2-aminoanilino)-2-methylpiperidine-1-carboxylate
CID 118209044

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-methyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate (CID 107094437) is tert-butyl 2-methyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-methyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-methyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate is Cc1ncsc1C(C)NC1CCN(C(=O)OC(C)(C)C)C(C)C1.
What is the InChIKey of tert-butyl 2-methyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate?
The InChIKey is UJJDAIZWZRNTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2S/c1-11-9-14(19-13(3)15-12(2)18-10-23-15)7-8-20(11)16(21)22-17(4,5)6/h10-11,13-14,19H,7-9H2,1-6H3.
What are the key properties of tert-butyl 2-methyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate?
tert-butyl 2-methyl-4-[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-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate is sourced from PubChem (CID 107094437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).