5-oxo-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C17H19N3O2S — CID 124731181

IUPAC5-oxo-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21)c1cnc2sccn2c1=O
InChIInChI=1S/C17H19N3O2S/c21-15(13-8-18-17-20(16(13)22)4-5-23-17)19-14-7-9-6-12(14)11-3-1-2-10(9)11/h4-5,8-12,14H,1-3,6-7H2,(H,19,21)/t9-,10-,11-,12+,14-/m1/s1
InChIKeyIROHDRYPKLVLIR-MPLKPFFPSA-N
MW329.43 g/mol
LogP2.31
Rot. Bonds2

About 5-oxo-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

5-oxo-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 124731181) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 5-oxo-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID124731181
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name5-oxo-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21)c1cnc2sccn2c1=O
InChIInChI=1S/C17H19N3O2S/c21-15(13-8-18-17-20(16(13)22)4-5-23-17)19-14-7-9-6-12(14)11-3-1-2-10(9)11/h4-5,8-12,14H,1-3,6-7H2,(H,19,21)/t9-,10-,11-,12+,14-/m1/s1
InChIKeyIROHDRYPKLVLIR-MPLKPFFPSA-N
XLogP2.31
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-oxo-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-oxo-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 124731181) is 5-oxo-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-oxo-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-oxo-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21)c1cnc2sccn2c1=O.
What is the InChIKey of 5-oxo-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is IROHDRYPKLVLIR-MPLKPFFPSA-N. The full InChI is InChI=1S/C17H19N3O2S/c21-15(13-8-18-17-20(16(13)22)4-5-23-17)19-14-7-9-6-12(14)11-3-1-2-10(9)11/h4-5,8-12,14H,1-3,6-7H2,(H,19,21)/t9-,10-,11-,12+,14-/m1/s1.
What are the key properties of 5-oxo-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
5-oxo-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 124731181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).