2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide

C15H23N3O3S — CID 16868068

IUPAC2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCc1cnc2n(c1=O)C(CC(=O)NCCCOC(C)C)CS2
InChIInChI=1S/C15H23N3O3S/c1-10(2)21-6-4-5-16-13(19)7-12-9-22-15-17-8-11(3)14(20)18(12)15/h8,10,12H,4-7,9H2,1-3H3,(H,16,19)
InChIKeyVAPVFDIFAXHSCA-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.52
Rot. Bonds7

About 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide

2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 16868068) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID16868068
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCc1cnc2n(c1=O)C(CC(=O)NCCCOC(C)C)CS2
InChIInChI=1S/C15H23N3O3S/c1-10(2)21-6-4-5-16-13(19)7-12-9-22-15-17-8-11(3)14(20)18(12)15/h8,10,12H,4-7,9H2,1-3H3,(H,16,19)
InChIKeyVAPVFDIFAXHSCA-UHFFFAOYSA-N
XLogP1.52
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.52
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 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide (CID 16868068) is 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide is Cc1cnc2n(c1=O)C(CC(=O)NCCCOC(C)C)CS2.
What is the InChIKey of 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is VAPVFDIFAXHSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-10(2)21-6-4-5-16-13(19)7-12-9-22-15-17-8-11(3)14(20)18(12)15/h8,10,12H,4-7,9H2,1-3H3,(H,16,19).
What are the key properties of 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide?
2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 325.43 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 16868068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).