tert-butyl (2R)-2-ethyl-4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

C15H22N2O2S — CID 70866362

IUPACtert-butyl (2R)-2-ethyl-4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC[C@@H]1CC(c2nccs2)=CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H22N2O2S/c1-5-12-10-11(13-16-7-9-20-13)6-8-17(12)14(18)19-15(2,3)4/h6-7,9,12H,5,8,10H2,1-4H3/t12-/m1/s1
InChIKeyBNCRBVQDMFVDGU-GFCCVEGCSA-N
MW294.42 g/mol
LogP3.95
Rot. Bonds2

About tert-butyl (2R)-2-ethyl-4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl (2R)-2-ethyl-4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 70866362) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is tert-butyl (2R)-2-ethyl-4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-ethyl-4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID70866362
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Nametert-butyl (2R)-2-ethyl-4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC[C@@H]1CC(c2nccs2)=CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H22N2O2S/c1-5-12-10-11(13-16-7-9-20-13)6-8-17(12)14(18)19-15(2,3)4/h6-7,9,12H,5,8,10H2,1-4H3/t12-/m1/s1
InChIKeyBNCRBVQDMFVDGU-GFCCVEGCSA-N
XLogP3.95
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-ethyl-4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-ethyl-4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate (CID 70866362) is tert-butyl (2R)-2-ethyl-4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-ethyl-4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-ethyl-4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate is CC[C@@H]1CC(c2nccs2)=CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-ethyl-4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is BNCRBVQDMFVDGU-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-5-12-10-11(13-16-7-9-20-13)6-8-17(12)14(18)19-15(2,3)4/h6-7,9,12H,5,8,10H2,1-4H3/t12-/m1/s1.
What are the key properties of tert-butyl (2R)-2-ethyl-4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl (2R)-2-ethyl-4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 294.42 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-ethyl-4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 70866362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).