tert-butyl N-[1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-oxo-3-pyridinyl]carbamate

C15H21N3O3S — CID 137450811

IUPACtert-butyl N-[1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-oxo-3-pyridinyl]carbamate
SMILESCC1(C)CSC(n2cccc(NC(=O)OC(C)(C)C)c2=O)=N1
InChIInChI=1S/C15H21N3O3S/c1-14(2,3)21-13(20)16-10-7-6-8-18(11(10)19)12-17-15(4,5)9-22-12/h6-8H,9H2,1-5H3,(H,16,20)
InChIKeyFDOZNRVQZGLBDY-UHFFFAOYSA-N
MW323.42 g/mol
LogP2.92
Rot. Bonds1

About tert-butyl N-[1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-oxo-3-pyridinyl]carbamate

tert-butyl N-[1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-oxo-3-pyridinyl]carbamate (PubChem CID 137450811) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is tert-butyl N-[1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-oxo-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-oxo-3-pyridinyl]carbamate
PubChem CID137450811
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Nametert-butyl N-[1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-oxo-3-pyridinyl]carbamate
SMILESCC1(C)CSC(n2cccc(NC(=O)OC(C)(C)C)c2=O)=N1
InChIInChI=1S/C15H21N3O3S/c1-14(2,3)21-13(20)16-10-7-6-8-18(11(10)19)12-17-15(4,5)9-22-12/h6-8H,9H2,1-5H3,(H,16,20)
InChIKeyFDOZNRVQZGLBDY-UHFFFAOYSA-N
XLogP2.92
TPSA72.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-oxo-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-oxo-3-pyridinyl]carbamate (CID 137450811) is tert-butyl N-[1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-oxo-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-oxo-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-oxo-3-pyridinyl]carbamate is CC1(C)CSC(n2cccc(NC(=O)OC(C)(C)C)c2=O)=N1.
What is the InChIKey of tert-butyl N-[1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-oxo-3-pyridinyl]carbamate?
The InChIKey is FDOZNRVQZGLBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-14(2,3)21-13(20)16-10-7-6-8-18(11(10)19)12-17-15(4,5)9-22-12/h6-8H,9H2,1-5H3,(H,16,20).
What are the key properties of tert-butyl N-[1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-oxo-3-pyridinyl]carbamate?
tert-butyl N-[1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-oxo-3-pyridinyl]carbamate has a molecular weight of 323.42 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-oxo-3-pyridinyl]carbamate is sourced from PubChem (CID 137450811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).