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

C12H16N4OS — CID 79364328

IUPAC1-[3-methyl-5-[2-(1-methylimidazol-2-yl)ethylamino]-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1NCCc1nccn1C
InChIInChI=1S/C12H16N4OS/c1-8-11(9(2)17)12(18-15-8)14-5-4-10-13-6-7-16(10)3/h6-7,14H,4-5H2,1-3H3
InChIKeyJHNOHJZIIXCPRE-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.04
Rot. Bonds5

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

1-[3-methyl-5-[2-(1-methylimidazol-2-yl)ethylamino]-1,2-thiazol-4-yl]ethanone (PubChem CID 79364328) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-[3-methyl-5-[2-(1-methylimidazol-2-yl)ethylamino]-1,2-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[3-methyl-5-[2-(1-methylimidazol-2-yl)ethylamino]-1,2-thiazol-4-yl]ethanone
PubChem CID79364328
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name1-[3-methyl-5-[2-(1-methylimidazol-2-yl)ethylamino]-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1NCCc1nccn1C
InChIInChI=1S/C12H16N4OS/c1-8-11(9(2)17)12(18-15-8)14-5-4-10-13-6-7-16(10)3/h6-7,14H,4-5H2,1-3H3
InChIKeyJHNOHJZIIXCPRE-UHFFFAOYSA-N
XLogP2.04
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 56779735
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CID 53608571
CID 53608571
CID 72149661
CID 72149661
CID 72892657
CID 72892657
CID 72915024
CID 72915024
CID 79363805
CID 79363805
CID 79363876
CID 79363876
CID 79363959
CID 79363959
CID 79363967
CID 79363967

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-5-[2-(1-methylimidazol-2-yl)ethylamino]-1,2-thiazol-4-yl]ethanone?
The IUPAC name of 1-[3-methyl-5-[2-(1-methylimidazol-2-yl)ethylamino]-1,2-thiazol-4-yl]ethanone (CID 79364328) is 1-[3-methyl-5-[2-(1-methylimidazol-2-yl)ethylamino]-1,2-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[3-methyl-5-[2-(1-methylimidazol-2-yl)ethylamino]-1,2-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[3-methyl-5-[2-(1-methylimidazol-2-yl)ethylamino]-1,2-thiazol-4-yl]ethanone is CC(=O)c1c(C)nsc1NCCc1nccn1C.
What is the InChIKey of 1-[3-methyl-5-[2-(1-methylimidazol-2-yl)ethylamino]-1,2-thiazol-4-yl]ethanone?
The InChIKey is JHNOHJZIIXCPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-8-11(9(2)17)12(18-15-8)14-5-4-10-13-6-7-16(10)3/h6-7,14H,4-5H2,1-3H3.
What are the key properties of 1-[3-methyl-5-[2-(1-methylimidazol-2-yl)ethylamino]-1,2-thiazol-4-yl]ethanone?
1-[3-methyl-5-[2-(1-methylimidazol-2-yl)ethylamino]-1,2-thiazol-4-yl]ethanone has a molecular weight of 264.35 g/mol, XLogP of 2.04, 5 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-(1-methylimidazol-2-yl)ethylamino]-1,2-thiazol-4-yl]ethanone is sourced from PubChem (CID 79364328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).