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

C13H19N3O3S — CID 5227429

IUPAC5-oxo-N-(3-propan-2-yloxypropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)OCCCNC(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C13H19N3O3S/c1-9(2)19-6-3-4-14-11(17)10-8-15-13-16(12(10)18)5-7-20-13/h8-9H,3-7H2,1-2H3,(H,14,17)
InChIKeyNTTFNDLZNPFNJN-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.89
Rot. Bonds6

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

5-oxo-N-(3-propan-2-yloxypropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 5227429) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-oxo-N-(3-propan-2-yloxypropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(3-propan-2-yloxypropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID5227429
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name5-oxo-N-(3-propan-2-yloxypropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)OCCCNC(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C13H19N3O3S/c1-9(2)19-6-3-4-14-11(17)10-8-15-13-16(12(10)18)5-7-20-13/h8-9H,3-7H2,1-2H3,(H,14,17)
InChIKeyNTTFNDLZNPFNJN-UHFFFAOYSA-N
XLogP0.89
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.89
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 5-oxo-N-(3-propan-2-yloxypropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-oxo-N-(3-propan-2-yloxypropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 5227429) is 5-oxo-N-(3-propan-2-yloxypropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-oxo-N-(3-propan-2-yloxypropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-oxo-N-(3-propan-2-yloxypropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC(C)OCCCNC(=O)c1cnc2n(c1=O)CCS2.
What is the InChIKey of 5-oxo-N-(3-propan-2-yloxypropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is NTTFNDLZNPFNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-9(2)19-6-3-4-14-11(17)10-8-15-13-16(12(10)18)5-7-20-13/h8-9H,3-7H2,1-2H3,(H,14,17).
What are the key properties of 5-oxo-N-(3-propan-2-yloxypropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
5-oxo-N-(3-propan-2-yloxypropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(3-propan-2-yloxypropyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 5227429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).