N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide

C13H13N3O3S — CID 91768845

IUPACN-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
SMILESO=C(N[C@H]1C[C@@H]2OCC[C@H]12)c1cc(=O)nc2sccn12
InChIInChI=1S/C13H13N3O3S/c17-11-6-9(16-2-4-20-13(16)15-11)12(18)14-8-5-10-7(8)1-3-19-10/h2,4,6-8,10H,1,3,5H2,(H,14,18)/t7-,8+,10+/m1/s1
InChIKeyGVEOEWCNUKZDNY-WEDXCCLWSA-N
MW291.33 g/mol
LogP0.66
Rot. Bonds2

About N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide

N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide (PubChem CID 91768845) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
PubChem CID91768845
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC NameN-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
SMILESO=C(N[C@H]1C[C@@H]2OCC[C@H]12)c1cc(=O)nc2sccn12
InChIInChI=1S/C13H13N3O3S/c17-11-6-9(16-2-4-20-13(16)15-11)12(18)14-8-5-10-7(8)1-3-19-10/h2,4,6-8,10H,1,3,5H2,(H,14,18)/t7-,8+,10+/m1/s1
InChIKeyGVEOEWCNUKZDNY-WEDXCCLWSA-N
XLogP0.66
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide?
The IUPAC name of N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide (CID 91768845) is N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide is O=C(N[C@H]1C[C@@H]2OCC[C@H]12)c1cc(=O)nc2sccn12.
What is the InChIKey of N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide?
The InChIKey is GVEOEWCNUKZDNY-WEDXCCLWSA-N. The full InChI is InChI=1S/C13H13N3O3S/c17-11-6-9(16-2-4-20-13(16)15-11)12(18)14-8-5-10-7(8)1-3-19-10/h2,4,6-8,10H,1,3,5H2,(H,14,18)/t7-,8+,10+/m1/s1.
What are the key properties of N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide?
N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide has a molecular weight of 291.33 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 91768845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).