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

C17H29N3O2S — CID 71982961

IUPACtert-butyl 4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-methylamino]piperidine-1-carboxylate
SMILESCc1nc(C)c(CN(C)C2CCN(C(=O)OC(C)(C)C)CC2)s1
InChIInChI=1S/C17H29N3O2S/c1-12-15(23-13(2)18-12)11-19(6)14-7-9-20(10-8-14)16(21)22-17(3,4)5/h14H,7-11H2,1-6H3
InChIKeyOBUNFITZGPMXKC-UHFFFAOYSA-N
MW339.51 g/mol
LogP3.59
Rot. Bonds3

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

tert-butyl 4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-methylamino]piperidine-1-carboxylate (PubChem CID 71982961) has the molecular formula C17H29N3O2S and a molecular weight of 339.51 g/mol. Its IUPAC name is tert-butyl 4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-methylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-methylamino]piperidine-1-carboxylate
PubChem CID71982961
Molecular FormulaC17H29N3O2S
Molecular Weight339.51 g/mol
Exact Mass339.20
IUPAC Nametert-butyl 4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-methylamino]piperidine-1-carboxylate
SMILESCc1nc(C)c(CN(C)C2CCN(C(=O)OC(C)(C)C)CC2)s1
InChIInChI=1S/C17H29N3O2S/c1-12-15(23-13(2)18-12)11-19(6)14-7-9-20(10-8-14)16(21)22-17(3,4)5/h14H,7-11H2,1-6H3
InChIKeyOBUNFITZGPMXKC-UHFFFAOYSA-N
XLogP3.59
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-methylamino]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-methylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-methylamino]piperidine-1-carboxylate (CID 71982961) is tert-butyl 4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-methylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-methylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-methylamino]piperidine-1-carboxylate is Cc1nc(C)c(CN(C)C2CCN(C(=O)OC(C)(C)C)CC2)s1.
What is the InChIKey of tert-butyl 4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-methylamino]piperidine-1-carboxylate?
The InChIKey is OBUNFITZGPMXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2S/c1-12-15(23-13(2)18-12)11-19(6)14-7-9-20(10-8-14)16(21)22-17(3,4)5/h14H,7-11H2,1-6H3.
What are the key properties of tert-butyl 4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-methylamino]piperidine-1-carboxylate?
tert-butyl 4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-methylamino]piperidine-1-carboxylate has a molecular weight of 339.51 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-methylamino]piperidine-1-carboxylate is sourced from PubChem (CID 71982961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).