1-[3-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazol-4-yl]ethanone

C12H14N4OS — CID 79364398

IUPAC1-[3-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1NCc1ccnc(C)n1
InChIInChI=1S/C12H14N4OS/c1-7-11(8(2)17)12(18-16-7)14-6-10-4-5-13-9(3)15-10/h4-5,14H,6H2,1-3H3
InChIKeyMPUJRYFGRYQLJS-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.36
Rot. Bonds4

About 1-[3-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazol-4-yl]ethanone

1-[3-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazol-4-yl]ethanone (PubChem CID 79364398) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 1-[3-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[3-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazol-4-yl]ethanone
PubChem CID79364398
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name1-[3-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1NCc1ccnc(C)n1
InChIInChI=1S/C12H14N4OS/c1-7-11(8(2)17)12(18-16-7)14-6-10-4-5-13-9(3)15-10/h4-5,14H,6H2,1-3H3
InChIKeyMPUJRYFGRYQLJS-UHFFFAOYSA-N
XLogP2.36
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-Methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 27449481
3-methyl-5-(methylamino)-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1,2-thiazole-4-carboxamide
CID 45824513
1-(4-Methyl-2-{[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]amino}pyrimidin-5-yl)ethanone
CID 72936662
1-[3-Methyl-5-[(1-methylimidazol-2-yl)methylamino]-1,2-thiazol-4-yl]ethanone
CID 79363805
1-[5-(4-Imidazol-1-ylbutylamino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79363959
1-[5-(2-Imidazol-1-ylethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79363967
1-[3-Methyl-5-[2-(1-methylimidazol-2-yl)ethylamino]-1,2-thiazol-4-yl]ethanone
CID 79364328
1-[5-(1-Imidazol-1-ylpropan-2-ylamino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79364330
3-Methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carboxylic acid
CID 79401986
3-amino-N-cyclopropyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide
CID 103378260
3-amino-N-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide
CID 103378262
3-amino-5-[(2-methylpyrimidin-4-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103378264

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazol-4-yl]ethanone?
The IUPAC name of 1-[3-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazol-4-yl]ethanone (CID 79364398) is 1-[3-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[3-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[3-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazol-4-yl]ethanone is CC(=O)c1c(C)nsc1NCc1ccnc(C)n1.
What is the InChIKey of 1-[3-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazol-4-yl]ethanone?
The InChIKey is MPUJRYFGRYQLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-7-11(8(2)17)12(18-16-7)14-6-10-4-5-13-9(3)15-10/h4-5,14H,6H2,1-3H3.
What are the key properties of 1-[3-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazol-4-yl]ethanone?
1-[3-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazol-4-yl]ethanone has a molecular weight of 262.34 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazol-4-yl]ethanone is sourced from PubChem (CID 79364398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).