N-methyl-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide

C9H13N3O2S — CID 53264948

IUPACN-methyl-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide
SMILESCNC(=O)CC1SC2=NCCCN2C1=O
InChIInChI=1S/C9H13N3O2S/c1-10-7(13)5-6-8(14)12-4-2-3-11-9(12)15-6/h6H,2-5H2,1H3,(H,10,13)
InChIKeyMTYYWSUNBLVJIG-UHFFFAOYSA-N
MW227.29 g/mol
LogP-0.17
Rot. Bonds2

About N-methyl-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide

N-methyl-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide (PubChem CID 53264948) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is N-methyl-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide
PubChem CID53264948
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC NameN-methyl-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide
SMILESCNC(=O)CC1SC2=NCCCN2C1=O
InChIInChI=1S/C9H13N3O2S/c1-10-7(13)5-6-8(14)12-4-2-3-11-9(12)15-6/h6H,2-5H2,1H3,(H,10,13)
InChIKeyMTYYWSUNBLVJIG-UHFFFAOYSA-N
XLogP-0.17
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide?
The IUPAC name of N-methyl-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide (CID 53264948) is N-methyl-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide.
What is the SMILES notation for N-methyl-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide?
The canonical SMILES for N-methyl-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide is CNC(=O)CC1SC2=NCCCN2C1=O.
What is the InChIKey of N-methyl-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide?
The InChIKey is MTYYWSUNBLVJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-10-7(13)5-6-8(14)12-4-2-3-11-9(12)15-6/h6H,2-5H2,1H3,(H,10,13).
What are the key properties of N-methyl-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide?
N-methyl-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide has a molecular weight of 227.29 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide is sourced from PubChem (CID 53264948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).