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

C15H21N3O3S — CID 126469659

IUPAC3-tert-butyl-N-(3-methoxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOCCCNC(=O)c1cnc2scc(C(C)(C)C)n2c1=O
InChIInChI=1S/C15H21N3O3S/c1-15(2,3)11-9-22-14-17-8-10(13(20)18(11)14)12(19)16-6-5-7-21-4/h8-9H,5-7H2,1-4H3,(H,16,19)
InChIKeySISPURPPLCWZNF-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.82
Rot. Bonds5

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

3-tert-butyl-N-(3-methoxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126469659) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is 3-tert-butyl-N-(3-methoxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-(3-methoxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126469659
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name3-tert-butyl-N-(3-methoxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOCCCNC(=O)c1cnc2scc(C(C)(C)C)n2c1=O
InChIInChI=1S/C15H21N3O3S/c1-15(2,3)11-9-22-14-17-8-10(13(20)18(11)14)12(19)16-6-5-7-21-4/h8-9H,5-7H2,1-4H3,(H,16,19)
InChIKeySISPURPPLCWZNF-UHFFFAOYSA-N
XLogP1.82
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.82
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 3-tert-butyl-N-(3-methoxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-tert-butyl-N-(3-methoxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126469659) is 3-tert-butyl-N-(3-methoxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-(3-methoxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-tert-butyl-N-(3-methoxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is COCCCNC(=O)c1cnc2scc(C(C)(C)C)n2c1=O.
What is the InChIKey of 3-tert-butyl-N-(3-methoxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is SISPURPPLCWZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-15(2,3)11-9-22-14-17-8-10(13(20)18(11)14)12(19)16-6-5-7-21-4/h8-9H,5-7H2,1-4H3,(H,16,19).
What are the key properties of 3-tert-butyl-N-(3-methoxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
3-tert-butyl-N-(3-methoxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(3-methoxypropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126469659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).