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

C11H13N3O3S — CID 17248287

IUPACN-(3-methoxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOCCCNC(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C11H13N3O3S/c1-17-5-2-3-12-9(15)8-7-13-11-14(10(8)16)4-6-18-11/h4,6-7H,2-3,5H2,1H3,(H,12,15)
InChIKeyXGVBWSRZYJNOPE-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.52
Rot. Bonds5

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

N-(3-methoxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 17248287) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is N-(3-methoxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID17248287
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC NameN-(3-methoxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOCCCNC(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C11H13N3O3S/c1-17-5-2-3-12-9(15)8-7-13-11-14(10(8)16)4-6-18-11/h4,6-7H,2-3,5H2,1H3,(H,12,15)
InChIKeyXGVBWSRZYJNOPE-UHFFFAOYSA-N
XLogP0.52
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-methoxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 17248287) is N-(3-methoxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is COCCCNC(=O)c1cnc2sccn2c1=O.
What is the InChIKey of N-(3-methoxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is XGVBWSRZYJNOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-17-5-2-3-12-9(15)8-7-13-11-14(10(8)16)4-6-18-11/h4,6-7H,2-3,5H2,1H3,(H,12,15).
What are the key properties of N-(3-methoxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(3-methoxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 267.31 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 17248287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).