N-methyl-2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide

C13H17N3O2S — CID 50848343

IUPACN-methyl-2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide
SMILESCCCN(C)C(=O)Cc1csc2nc(C)cc(=O)n12
InChIInChI=1S/C13H17N3O2S/c1-4-5-15(3)11(17)7-10-8-19-13-14-9(2)6-12(18)16(10)13/h6,8H,4-5,7H2,1-3H3
InChIKeySVXQEWRHWKIBKN-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.48
Rot. Bonds4

About N-methyl-2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide

N-methyl-2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide (PubChem CID 50848343) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-methyl-2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide.

Molecular Properties

Compound NameN-methyl-2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide
PubChem CID50848343
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-methyl-2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide
SMILESCCCN(C)C(=O)Cc1csc2nc(C)cc(=O)n12
InChIInChI=1S/C13H17N3O2S/c1-4-5-15(3)11(17)7-10-8-19-13-14-9(2)6-12(18)16(10)13/h6,8H,4-5,7H2,1-3H3
InChIKeySVXQEWRHWKIBKN-UHFFFAOYSA-N
XLogP1.48
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide?
The IUPAC name of N-methyl-2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide (CID 50848343) is N-methyl-2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide.
What is the SMILES notation for N-methyl-2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide?
The canonical SMILES for N-methyl-2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide is CCCN(C)C(=O)Cc1csc2nc(C)cc(=O)n12.
What is the InChIKey of N-methyl-2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide?
The InChIKey is SVXQEWRHWKIBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-4-5-15(3)11(17)7-10-8-19-13-14-9(2)6-12(18)16(10)13/h6,8H,4-5,7H2,1-3H3.
What are the key properties of N-methyl-2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide?
N-methyl-2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide has a molecular weight of 279.37 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide is sourced from PubChem (CID 50848343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).