7-hydroxy-5-oxo-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C12H13N3O4S — CID 135853306

IUPAC7-hydroxy-5-oxo-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCC1CCCO1)c1c(O)nc2sccn2c1=O
InChIInChI=1S/C12H13N3O4S/c16-9(13-6-7-2-1-4-19-7)8-10(17)14-12-15(11(8)18)3-5-20-12/h3,5,7,17H,1-2,4,6H2,(H,13,16)
InChIKeyXXQXSBCBCDNTRF-UHFFFAOYSA-N
MW295.32 g/mol
LogP0.37
Rot. Bonds3

About 7-hydroxy-5-oxo-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

7-hydroxy-5-oxo-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 135853306) has the molecular formula C12H13N3O4S and a molecular weight of 295.32 g/mol. Its IUPAC name is 7-hydroxy-5-oxo-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-hydroxy-5-oxo-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID135853306
Molecular FormulaC12H13N3O4S
Molecular Weight295.32 g/mol
Exact Mass295.06
IUPAC Name7-hydroxy-5-oxo-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCC1CCCO1)c1c(O)nc2sccn2c1=O
InChIInChI=1S/C12H13N3O4S/c16-9(13-6-7-2-1-4-19-7)8-10(17)14-12-15(11(8)18)3-5-20-12/h3,5,7,17H,1-2,4,6H2,(H,13,16)
InChIKeyXXQXSBCBCDNTRF-UHFFFAOYSA-N
XLogP0.37
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-hydroxy-3-methyl-5-oxo-N-((tetrahydrofuran-2-yl)methyl)-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853357
5-oxo-N-[(oxolan-2-yl)methyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5172890
7-hydroxy-N-(2-methoxyethyl)-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853293
5-oxo-N-(oxolan-2-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3413451
3-Methyl-5-oxo-N-[(oxolan-2-YL)methyl]-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carboxamide
CID 4416933
5-oxo-N-[1-(oxolan-2-yl)ethyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 45817680
3-methyl-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51423702
3-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51423703
5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51564215
5-oxo-N-[[(2R)-oxolan-2-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51564216
2-[(4-oxo-5,7a-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 73330050
N-(5-hydroxypentyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 107318679

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-5-oxo-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-hydroxy-5-oxo-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 135853306) is 7-hydroxy-5-oxo-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-hydroxy-5-oxo-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-hydroxy-5-oxo-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NCC1CCCO1)c1c(O)nc2sccn2c1=O.
What is the InChIKey of 7-hydroxy-5-oxo-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is XXQXSBCBCDNTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S/c16-9(13-6-7-2-1-4-19-7)8-10(17)14-12-15(11(8)18)3-5-20-12/h3,5,7,17H,1-2,4,6H2,(H,13,16).
What are the key properties of 7-hydroxy-5-oxo-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
7-hydroxy-5-oxo-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 295.32 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-5-oxo-N-(oxolan-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135853306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).