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

C12H15N3O4S — CID 135853299

IUPACN-(3-ethoxypropyl)-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCOCCCNC(=O)c1c(O)nc2sccn2c1=O
InChIInChI=1S/C12H15N3O4S/c1-2-19-6-3-4-13-9(16)8-10(17)14-12-15(11(8)18)5-7-20-12/h5,7,17H,2-4,6H2,1H3,(H,13,16)
InChIKeyLAQJTSBFDPTVPF-UHFFFAOYSA-N
MW297.34 g/mol
LogP0.62
Rot. Bonds6

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

N-(3-ethoxypropyl)-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 135853299) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID135853299
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC NameN-(3-ethoxypropyl)-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCOCCCNC(=O)c1c(O)nc2sccn2c1=O
InChIInChI=1S/C12H15N3O4S/c1-2-19-6-3-4-13-9(16)8-10(17)14-12-15(11(8)18)5-7-20-12/h5,7,17H,2-4,6H2,1H3,(H,13,16)
InChIKeyLAQJTSBFDPTVPF-UHFFFAOYSA-N
XLogP0.62
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 135853299) is N-(3-ethoxypropyl)-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCOCCCNC(=O)c1c(O)nc2sccn2c1=O.
What is the InChIKey of N-(3-ethoxypropyl)-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is LAQJTSBFDPTVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-2-19-6-3-4-13-9(16)8-10(17)14-12-15(11(8)18)5-7-20-12/h5,7,17H,2-4,6H2,1H3,(H,13,16).
What are the key properties of N-(3-ethoxypropyl)-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(3-ethoxypropyl)-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 297.34 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135853299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).