4-ethyl-2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-thiazole-5-carboxamide

C13H18N2O2S — CID 133265806

IUPAC4-ethyl-2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)sc1C(=O)N[C@@H]1C[C@H]2OCC[C@@H]12
InChIInChI=1S/C13H18N2O2S/c1-3-9-12(18-7(2)14-9)13(16)15-10-6-11-8(10)4-5-17-11/h8,10-11H,3-6H2,1-2H3,(H,15,16)/t8-,10+,11+/m0/s1
InChIKeyCTIWVCJBMKBZBP-JMJZKYOTSA-N
MW266.37 g/mol
LogP1.92
Rot. Bonds3

About 4-ethyl-2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-thiazole-5-carboxamide

4-ethyl-2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-thiazole-5-carboxamide (PubChem CID 133265806) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 4-ethyl-2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-thiazole-5-carboxamide
PubChem CID133265806
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name4-ethyl-2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)sc1C(=O)N[C@@H]1C[C@H]2OCC[C@@H]12
InChIInChI=1S/C13H18N2O2S/c1-3-9-12(18-7(2)14-9)13(16)15-10-6-11-8(10)4-5-17-11/h8,10-11H,3-6H2,1-2H3,(H,15,16)/t8-,10+,11+/m0/s1
InChIKeyCTIWVCJBMKBZBP-JMJZKYOTSA-N
XLogP1.92
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-ethyl-2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-thiazole-5-carboxamide (CID 133265806) is 4-ethyl-2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-thiazole-5-carboxamide is CCc1nc(C)sc1C(=O)N[C@@H]1C[C@H]2OCC[C@@H]12.
What is the InChIKey of 4-ethyl-2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is CTIWVCJBMKBZBP-JMJZKYOTSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-3-9-12(18-7(2)14-9)13(16)15-10-6-11-8(10)4-5-17-11/h8,10-11H,3-6H2,1-2H3,(H,15,16)/t8-,10+,11+/m0/s1.
What are the key properties of 4-ethyl-2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-thiazole-5-carboxamide?
4-ethyl-2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 133265806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).