tert-butyl N-[4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-yl]carbamate

C19H23N3O3S — CID 154668185

IUPACtert-butyl N-[4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(-c2cccc(C34CCOCC3C4)n2)cs1
InChIInChI=1S/C19H23N3O3S/c1-18(2,3)25-17(23)22-16-21-14(11-26-16)13-5-4-6-15(20-13)19-7-8-24-10-12(19)9-19/h4-6,11-12H,7-10H2,1-3H3,(H,21,22,23)
InChIKeyZPSHLVLHIYSXFY-UHFFFAOYSA-N
MW373.48 g/mol
LogP4.23
Rot. Bonds3

About tert-butyl N-[4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-yl]carbamate

tert-butyl N-[4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-yl]carbamate (PubChem CID 154668185) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is tert-butyl N-[4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-yl]carbamate
PubChem CID154668185
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Nametert-butyl N-[4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(-c2cccc(C34CCOCC3C4)n2)cs1
InChIInChI=1S/C19H23N3O3S/c1-18(2,3)25-17(23)22-16-21-14(11-26-16)13-5-4-6-15(20-13)19-7-8-24-10-12(19)9-19/h4-6,11-12H,7-10H2,1-3H3,(H,21,22,23)
InChIKeyZPSHLVLHIYSXFY-UHFFFAOYSA-N
XLogP4.23
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-yl]carbamate (CID 154668185) is tert-butyl N-[4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-yl]carbamate is CC(C)(C)OC(=O)Nc1nc(-c2cccc(C34CCOCC3C4)n2)cs1.
What is the InChIKey of tert-butyl N-[4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-yl]carbamate?
The InChIKey is ZPSHLVLHIYSXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-18(2,3)25-17(23)22-16-21-14(11-26-16)13-5-4-6-15(20-13)19-7-8-24-10-12(19)9-19/h4-6,11-12H,7-10H2,1-3H3,(H,21,22,23).
What are the key properties of tert-butyl N-[4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-yl]carbamate?
tert-butyl N-[4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-yl]carbamate has a molecular weight of 373.48 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 154668185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).