5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C12H13N3O3S — CID 51564215

IUPAC5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1cnc2sccn2c1=O
InChIInChI=1S/C12H13N3O3S/c16-10(13-6-8-2-1-4-18-8)9-7-14-12-15(11(9)17)3-5-19-12/h3,5,7-8H,1-2,4,6H2,(H,13,16)/t8-/m0/s1
InChIKeyCKJBNRLFYRTKGV-QMMMGPOBSA-N
MW279.32 g/mol
LogP0.66
Rot. Bonds3

About 5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 51564215) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID51564215
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1cnc2sccn2c1=O
InChIInChI=1S/C12H13N3O3S/c16-10(13-6-8-2-1-4-18-8)9-7-14-12-15(11(9)17)3-5-19-12/h3,5,7-8H,1-2,4,6H2,(H,13,16)/t8-/m0/s1
InChIKeyCKJBNRLFYRTKGV-QMMMGPOBSA-N
XLogP0.66
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 51564215) is 5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NC[C@@H]1CCCO1)c1cnc2sccn2c1=O.
What is the InChIKey of 5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is CKJBNRLFYRTKGV-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H13N3O3S/c16-10(13-6-8-2-1-4-18-8)9-7-14-12-15(11(9)17)3-5-19-12/h3,5,7-8H,1-2,4,6H2,(H,13,16)/t8-/m0/s1.
What are the key properties of 5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 279.32 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 51564215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).