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

C13H15N3O2S — CID 114549960

IUPACN-(3-methylcyclopentyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC1CCC(NC(=O)c2cnc3sccn3c2=O)C1
InChIInChI=1S/C13H15N3O2S/c1-8-2-3-9(6-8)15-11(17)10-7-14-13-16(12(10)18)4-5-19-13/h4-5,7-9H,2-3,6H2,1H3,(H,15,17)
InChIKeyXUUXKNZSWRGMBM-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.67
Rot. Bonds2

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

N-(3-methylcyclopentyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 114549960) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-(3-methylcyclopentyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-methylcyclopentyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID114549960
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-(3-methylcyclopentyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC1CCC(NC(=O)c2cnc3sccn3c2=O)C1
InChIInChI=1S/C13H15N3O2S/c1-8-2-3-9(6-8)15-11(17)10-7-14-13-16(12(10)18)4-5-19-13/h4-5,7-9H,2-3,6H2,1H3,(H,15,17)
InChIKeyXUUXKNZSWRGMBM-UHFFFAOYSA-N
XLogP1.67
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclopentyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-methylcyclopentyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 114549960) is N-(3-methylcyclopentyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-methylcyclopentyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-methylcyclopentyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC1CCC(NC(=O)c2cnc3sccn3c2=O)C1.
What is the InChIKey of N-(3-methylcyclopentyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is XUUXKNZSWRGMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-8-2-3-9(6-8)15-11(17)10-7-14-13-16(12(10)18)4-5-19-13/h4-5,7-9H,2-3,6H2,1H3,(H,15,17).
What are the key properties of N-(3-methylcyclopentyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(3-methylcyclopentyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclopentyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 114549960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).