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

C12H17N3O3S — CID 107318717

IUPACN-(5-hydroxypentyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCCCCCO)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C12H17N3O3S/c16-6-3-1-2-4-13-10(17)9-8-14-12-15(11(9)18)5-7-19-12/h8,16H,1-7H2,(H,13,17)
InChIKeyIUBVPOAHZVYSIR-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.24
Rot. Bonds6

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

N-(5-hydroxypentyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 107318717) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID107318717
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC NameN-(5-hydroxypentyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCCCCCO)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C12H17N3O3S/c16-6-3-1-2-4-13-10(17)9-8-14-12-15(11(9)18)5-7-19-12/h8,16H,1-7H2,(H,13,17)
InChIKeyIUBVPOAHZVYSIR-UHFFFAOYSA-N
XLogP0.24
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.24
H-Bond Donors ≤ 52
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-(5-hydroxypentyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(5-hydroxypentyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 107318717) is N-(5-hydroxypentyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(5-hydroxypentyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(5-hydroxypentyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NCCCCCO)c1cnc2n(c1=O)CCS2.
What is the InChIKey of N-(5-hydroxypentyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is IUBVPOAHZVYSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c16-6-3-1-2-4-13-10(17)9-8-14-12-15(11(9)18)5-7-19-12/h8,16H,1-7H2,(H,13,17).
What are the key properties of N-(5-hydroxypentyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(5-hydroxypentyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 283.35 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 107318717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).