tert-butyl 4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methylpiperidine-1-carboxylate

C17H28N2O3S — CID 103915999

IUPACtert-butyl 4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methylpiperidine-1-carboxylate
SMILESCCc1nc(COC2(C)CCN(C(=O)OC(C)(C)C)CC2)cs1
InChIInChI=1S/C17H28N2O3S/c1-6-14-18-13(12-23-14)11-21-17(5)7-9-19(10-8-17)15(20)22-16(2,3)4/h12H,6-11H2,1-5H3
InChIKeyRSQSPQZHXJXJLF-UHFFFAOYSA-N
MW340.49 g/mol
LogP4.01
Rot. Bonds4

About tert-butyl 4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methylpiperidine-1-carboxylate

tert-butyl 4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methylpiperidine-1-carboxylate (PubChem CID 103915999) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is tert-butyl 4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methylpiperidine-1-carboxylate
PubChem CID103915999
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC Nametert-butyl 4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methylpiperidine-1-carboxylate
SMILESCCc1nc(COC2(C)CCN(C(=O)OC(C)(C)C)CC2)cs1
InChIInChI=1S/C17H28N2O3S/c1-6-14-18-13(12-23-14)11-21-17(5)7-9-19(10-8-17)15(20)22-16(2,3)4/h12H,6-11H2,1-5H3
InChIKeyRSQSPQZHXJXJLF-UHFFFAOYSA-N
XLogP4.01
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methylpiperidine-1-carboxylate (CID 103915999) is tert-butyl 4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methylpiperidine-1-carboxylate is CCc1nc(COC2(C)CCN(C(=O)OC(C)(C)C)CC2)cs1.
What is the InChIKey of tert-butyl 4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methylpiperidine-1-carboxylate?
The InChIKey is RSQSPQZHXJXJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-6-14-18-13(12-23-14)11-21-17(5)7-9-19(10-8-17)15(20)22-16(2,3)4/h12H,6-11H2,1-5H3.
What are the key properties of tert-butyl 4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methylpiperidine-1-carboxylate?
tert-butyl 4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methylpiperidine-1-carboxylate has a molecular weight of 340.49 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 103915999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).