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

C13H18N2O2S — CID 130067308

IUPACtert-butyl 2-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=CCC1c1nccs1
InChIInChI=1S/C13H18N2O2S/c1-13(2,3)17-12(16)15-8-5-4-6-10(15)11-14-7-9-18-11/h4-5,7,9-10H,6,8H2,1-3H3
InChIKeyUTXRKDOFFRYMEJ-UHFFFAOYSA-N
MW266.37 g/mol
LogP3.38
Rot. Bonds1

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

tert-butyl 2-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 130067308) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is tert-butyl 2-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID130067308
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Nametert-butyl 2-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=CCC1c1nccs1
InChIInChI=1S/C13H18N2O2S/c1-13(2,3)17-12(16)15-8-5-4-6-10(15)11-14-7-9-18-11/h4-5,7,9-10H,6,8H2,1-3H3
InChIKeyUTXRKDOFFRYMEJ-UHFFFAOYSA-N
XLogP3.38
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 2-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate (CID 130067308) is tert-butyl 2-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate is CC(C)(C)OC(=O)N1CC=CCC1c1nccs1.
What is the InChIKey of tert-butyl 2-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is UTXRKDOFFRYMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-13(2,3)17-12(16)15-8-5-4-6-10(15)11-14-7-9-18-11/h4-5,7,9-10H,6,8H2,1-3H3.
What are the key properties of tert-butyl 2-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 2-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 266.37 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 130067308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).