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

C11H13N3O2S — CID 90508334

IUPACN-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]acetamide
SMILESCC(=O)NCCc1csc2nc(C)cc(=O)n12
InChIInChI=1S/C11H13N3O2S/c1-7-5-10(16)14-9(3-4-12-8(2)15)6-17-11(14)13-7/h5-6H,3-4H2,1-2H3,(H,12,15)
InChIKeyVOUGZJMSKXBZEC-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.74
Rot. Bonds3

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

N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]acetamide (PubChem CID 90508334) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]acetamide
PubChem CID90508334
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC NameN-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]acetamide
SMILESCC(=O)NCCc1csc2nc(C)cc(=O)n12
InChIInChI=1S/C11H13N3O2S/c1-7-5-10(16)14-9(3-4-12-8(2)15)6-17-11(14)13-7/h5-6H,3-4H2,1-2H3,(H,12,15)
InChIKeyVOUGZJMSKXBZEC-UHFFFAOYSA-N
XLogP0.74
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide
CID 90508336
2-chloro-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide
CID 90508361
N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-propylpentanamide
CID 90508343
4-methoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide
CID 90508372
N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 90508411
3-cyclopentyl-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide
CID 90508348
N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 90508297
3,4-dimethoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide
CID 90508378
3-(4-methoxyphenyl)-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide
CID 90508473
4-butoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide
CID 90508376
3-(2,4-dioxopyrimidin-1-yl)-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide
CID 90508318
N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-phenyltriazole-4-carboxamide
CID 90508287

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]acetamide (CID 90508334) is N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]acetamide is CC(=O)NCCc1csc2nc(C)cc(=O)n12.
What is the InChIKey of N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]acetamide?
The InChIKey is VOUGZJMSKXBZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-7-5-10(16)14-9(3-4-12-8(2)15)6-17-11(14)13-7/h5-6H,3-4H2,1-2H3,(H,12,15).
What are the key properties of N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]acetamide?
N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]acetamide has a molecular weight of 251.31 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]acetamide is sourced from PubChem (CID 90508334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).