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

C11H13N3O4S — CID 135853294

IUPAC7-hydroxy-N-(3-methoxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOCCCNC(=O)c1c(O)nc2sccn2c1=O
InChIInChI=1S/C11H13N3O4S/c1-18-5-2-3-12-8(15)7-9(16)13-11-14(10(7)17)4-6-19-11/h4,6,16H,2-3,5H2,1H3,(H,12,15)
InChIKeyKBLLLRQTSLTCFK-UHFFFAOYSA-N
MW283.31 g/mol
LogP0.23
Rot. Bonds5

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

7-hydroxy-N-(3-methoxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 135853294) has the molecular formula C11H13N3O4S and a molecular weight of 283.31 g/mol. Its IUPAC name is 7-hydroxy-N-(3-methoxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-hydroxy-N-(3-methoxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID135853294
Molecular FormulaC11H13N3O4S
Molecular Weight283.31 g/mol
Exact Mass283.06
IUPAC Name7-hydroxy-N-(3-methoxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOCCCNC(=O)c1c(O)nc2sccn2c1=O
InChIInChI=1S/C11H13N3O4S/c1-18-5-2-3-12-8(15)7-9(16)13-11-14(10(7)17)4-6-19-11/h4,6,16H,2-3,5H2,1H3,(H,12,15)
InChIKeyKBLLLRQTSLTCFK-UHFFFAOYSA-N
XLogP0.23
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 50.23
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 7-hydroxy-N-(3-methoxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-hydroxy-N-(3-methoxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 135853294) is 7-hydroxy-N-(3-methoxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-hydroxy-N-(3-methoxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-hydroxy-N-(3-methoxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is COCCCNC(=O)c1c(O)nc2sccn2c1=O.
What is the InChIKey of 7-hydroxy-N-(3-methoxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is KBLLLRQTSLTCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S/c1-18-5-2-3-12-8(15)7-9(16)13-11-14(10(7)17)4-6-19-11/h4,6,16H,2-3,5H2,1H3,(H,12,15).
What are the key properties of 7-hydroxy-N-(3-methoxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
7-hydroxy-N-(3-methoxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 283.31 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-N-(3-methoxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135853294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).