N-[5-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1,3-thiazol-2-yl]acetamide

C12H14N4OS — CID 169227925

IUPACN-[5-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2nc(C)cc(C)n2)s1
InChIInChI=1S/C12H14N4OS/c1-6-5-7(2)14-11(13-6)10-8(3)15-12(18-10)16-9(4)17/h5H,1-4H3,(H,15,16,17)
InChIKeyPLYBYFNLOKSSLA-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.48
Rot. Bonds2

About N-[5-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1,3-thiazol-2-yl]acetamide

N-[5-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 169227925) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is N-[5-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID169227925
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC NameN-[5-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2nc(C)cc(C)n2)s1
InChIInChI=1S/C12H14N4OS/c1-6-5-7(2)14-11(13-6)10-8(3)15-12(18-10)16-9(4)17/h5H,1-4H3,(H,15,16,17)
InChIKeyPLYBYFNLOKSSLA-UHFFFAOYSA-N
XLogP2.48
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(4,6-Dimethylpyrimidin-2-yl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 709431
2-(4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-N-thiazol-2-yl-acetamide
CID 691775
4-{[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]methyl}-1,3-thiazol-2-amine
CID 683952
2-(4,6-Diamino-pyrimidin-2-ylsulfanyl)-N-(4,5-dimethyl-thiazol-2-yl)-acetamide
CID 3173027
2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 2059454
2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 3132109
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 47110332
2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 694062
2-(2-((4,6-dimethylpyrimidin-2-yl)amino)thiazol-4-yl)-N-ethylacetamide
CID 49670866
2-(2-((4,6-dimethylpyrimidin-2-yl)amino)thiazol-4-yl)-N-methoxyacetamide
CID 49670867
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-oxo-1,3-thiazol-2-yl)acetamide
CID 135456867
2-((4,6-dimethylpyrimidin-2-yl)amino)-N-(5-methylthiazol-2-yl)acetamide
CID 71710289

Frequently Asked Questions

What is the IUPAC name of N-[5-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1,3-thiazol-2-yl]acetamide (CID 169227925) is N-[5-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2nc(C)cc(C)n2)s1.
What is the InChIKey of N-[5-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is PLYBYFNLOKSSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-6-5-7(2)14-11(13-6)10-8(3)15-12(18-10)16-9(4)17/h5H,1-4H3,(H,15,16,17).
What are the key properties of N-[5-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1,3-thiazol-2-yl]acetamide?
N-[5-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 262.34 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 169227925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).