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

C12H14N4OS — CID 709431

IUPAC1-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(Nc2nc(C)cc(C)n2)nc1C
InChIInChI=1S/C12H14N4OS/c1-6-5-7(2)14-11(13-6)16-12-15-8(3)10(18-12)9(4)17/h5H,1-4H3,(H,13,14,15,16)
InChIKeySLWBZIVMIHBCDL-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.80
Rot. Bonds3

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

1-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone (PubChem CID 709431) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 1-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
PubChem CID709431
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name1-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(Nc2nc(C)cc(C)n2)nc1C
InChIInChI=1S/C12H14N4OS/c1-6-5-7(2)14-11(13-6)16-12-15-8(3)10(18-12)9(4)17/h5H,1-4H3,(H,13,14,15,16)
InChIKeySLWBZIVMIHBCDL-UHFFFAOYSA-N
XLogP2.80
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 700473
4-{[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]methyl}-1,3-thiazol-2-amine
CID 683952
2-(2-(2-((4,6-dimethylpyrimidin-2-yl)amino)thiazol-4-yl)acetamido)-N,N,4-trimethylthiazole-5-carboxamide
CID 49677942
{2-[(4,6-Dimethylpyrimidin-2-yl)amino]-1,3-thiazol-4-yl}acetic acid
CID 49657853
2-(2-((4,6-dimethylpyrimidin-2-yl)amino)thiazol-4-yl)-N-methoxyacetamide
CID 49670867
2,4-dimethyl-N-{[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]methyl}-1,3-thiazole-5-carboxamide
CID 72718291
2,4-dimethyl-N-((6-methylpyrimidin-4-yl)methyl)thiazole-5-carboxamide
CID 122263300
2-(cyclopropylmethyl)-N-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 128475001
N-(4,6-dimethylpyrimidin-2-yl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 136544098
1-[2-[[4-Chloro-6-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 23545893
2-Ethyl-4-methyl-N-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-YL]ethyl}-1,3-thiazole-5-carboxamide
CID 50966775
2-[(4,6-Dimethylpyrimidin-2-YL)sulfanyl]-N-(4-methyl-1,3-thiazol-2-YL)acetamide
CID 2345793

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone (CID 709431) is 1-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(Nc2nc(C)cc(C)n2)nc1C.
What is the InChIKey of 1-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is SLWBZIVMIHBCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-6-5-7(2)14-11(13-6)16-12-15-8(3)10(18-12)9(4)17/h5H,1-4H3,(H,13,14,15,16).
What are the key properties of 1-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone?
1-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 262.34 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 709431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).