tert-butyl 4-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxylate

C14H22N2O2S — CID 18538756

IUPACtert-butyl 4-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Cc2nccs2)CC1
InChIInChI=1S/C14H22N2O2S/c1-14(2,3)18-13(17)16-7-4-11(5-8-16)10-12-15-6-9-19-12/h6,9,11H,4-5,7-8,10H2,1-3H3
InChIKeyVUUDQMUWEYJBBG-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.33
Rot. Bonds2

About tert-butyl 4-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxylate

tert-butyl 4-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxylate (PubChem CID 18538756) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is tert-butyl 4-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxylate
PubChem CID18538756
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Nametert-butyl 4-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Cc2nccs2)CC1
InChIInChI=1S/C14H22N2O2S/c1-14(2,3)18-13(17)16-7-4-11(5-8-16)10-12-15-6-9-19-12/h6,9,11H,4-5,7-8,10H2,1-3H3
InChIKeyVUUDQMUWEYJBBG-UHFFFAOYSA-N
XLogP3.33
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxylate (CID 18538756) is tert-butyl 4-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Cc2nccs2)CC1.
What is the InChIKey of tert-butyl 4-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxylate?
The InChIKey is VUUDQMUWEYJBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-14(2,3)18-13(17)16-7-4-11(5-8-16)10-12-15-6-9-19-12/h6,9,11H,4-5,7-8,10H2,1-3H3.
What are the key properties of tert-butyl 4-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxylate?
tert-butyl 4-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxylate has a molecular weight of 282.41 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxylate is sourced from PubChem (CID 18538756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).