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

C12H16N4O2S — CID 78826580

IUPACN-methyl-2-[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide
SMILESCNC(=O)CN(C)Cc1cc(=O)n2c(C)csc2n1
InChIInChI=1S/C12H16N4O2S/c1-8-7-19-12-14-9(4-11(18)16(8)12)5-15(3)6-10(17)13-2/h4,7H,5-6H2,1-3H3,(H,13,17)
InChIKeyZWIPDTKXCNBGOM-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.24
Rot. Bonds4

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

N-methyl-2-[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide (PubChem CID 78826580) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-methyl-2-[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-methyl-2-[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide
PubChem CID78826580
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC NameN-methyl-2-[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide
SMILESCNC(=O)CN(C)Cc1cc(=O)n2c(C)csc2n1
InChIInChI=1S/C12H16N4O2S/c1-8-7-19-12-14-9(4-11(18)16(8)12)5-15(3)6-10(17)13-2/h4,7H,5-6H2,1-3H3,(H,13,17)
InChIKeyZWIPDTKXCNBGOM-UHFFFAOYSA-N
XLogP0.24
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide?
The IUPAC name of N-methyl-2-[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide (CID 78826580) is N-methyl-2-[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide.
What is the SMILES notation for N-methyl-2-[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide?
The canonical SMILES for N-methyl-2-[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide is CNC(=O)CN(C)Cc1cc(=O)n2c(C)csc2n1.
What is the InChIKey of N-methyl-2-[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide?
The InChIKey is ZWIPDTKXCNBGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-8-7-19-12-14-9(4-11(18)16(8)12)5-15(3)6-10(17)13-2/h4,7H,5-6H2,1-3H3,(H,13,17).
What are the key properties of N-methyl-2-[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide?
N-methyl-2-[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide has a molecular weight of 280.35 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide is sourced from PubChem (CID 78826580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).