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

C11H14N4OS — CID 79363805

IUPAC1-[3-methyl-5-[(1-methylimidazol-2-yl)methylamino]-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1NCc1nccn1C
InChIInChI=1S/C11H14N4OS/c1-7-10(8(2)16)11(17-14-7)13-6-9-12-4-5-15(9)3/h4-5,13H,6H2,1-3H3
InChIKeyBRUOQJBTARKHDI-UHFFFAOYSA-N
MW250.33 g/mol
LogP2.00
Rot. Bonds4

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

1-[3-methyl-5-[(1-methylimidazol-2-yl)methylamino]-1,2-thiazol-4-yl]ethanone (PubChem CID 79363805) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 1-[3-methyl-5-[(1-methylimidazol-2-yl)methylamino]-1,2-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[3-methyl-5-[(1-methylimidazol-2-yl)methylamino]-1,2-thiazol-4-yl]ethanone
PubChem CID79363805
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name1-[3-methyl-5-[(1-methylimidazol-2-yl)methylamino]-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1NCc1nccn1C
InChIInChI=1S/C11H14N4OS/c1-7-10(8(2)16)11(17-14-7)13-6-9-12-4-5-15(9)3/h4-5,13H,6H2,1-3H3
InChIKeyBRUOQJBTARKHDI-UHFFFAOYSA-N
XLogP2.00
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-5-[(1-methylimidazol-2-yl)methylamino]-1,2-thiazol-4-yl]ethanone?
The IUPAC name of 1-[3-methyl-5-[(1-methylimidazol-2-yl)methylamino]-1,2-thiazol-4-yl]ethanone (CID 79363805) is 1-[3-methyl-5-[(1-methylimidazol-2-yl)methylamino]-1,2-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[3-methyl-5-[(1-methylimidazol-2-yl)methylamino]-1,2-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[3-methyl-5-[(1-methylimidazol-2-yl)methylamino]-1,2-thiazol-4-yl]ethanone is CC(=O)c1c(C)nsc1NCc1nccn1C.
What is the InChIKey of 1-[3-methyl-5-[(1-methylimidazol-2-yl)methylamino]-1,2-thiazol-4-yl]ethanone?
The InChIKey is BRUOQJBTARKHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-7-10(8(2)16)11(17-14-7)13-6-9-12-4-5-15(9)3/h4-5,13H,6H2,1-3H3.
What are the key properties of 1-[3-methyl-5-[(1-methylimidazol-2-yl)methylamino]-1,2-thiazol-4-yl]ethanone?
1-[3-methyl-5-[(1-methylimidazol-2-yl)methylamino]-1,2-thiazol-4-yl]ethanone has a molecular weight of 250.33 g/mol, XLogP of 2.00, 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-[(1-methylimidazol-2-yl)methylamino]-1,2-thiazol-4-yl]ethanone is sourced from PubChem (CID 79363805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).