1-(2-imidazol-1-yl-1,3-thiazol-4-yl)ethanone

C8H7N3OS — CID 58654376

IUPAC1-(2-imidazol-1-yl-1,3-thiazol-4-yl)ethanone
SMILESCC(=O)c1csc(-n2ccnc2)n1
InChIInChI=1S/C8H7N3OS/c1-6(12)7-4-13-8(10-7)11-3-2-9-5-11/h2-5H,1H3
InChIKeyIGDKPGGCJFMYKR-UHFFFAOYSA-N
MW193.23 g/mol
LogP1.53
Rot. Bonds2

About 1-(2-imidazol-1-yl-1,3-thiazol-4-yl)ethanone

1-(2-imidazol-1-yl-1,3-thiazol-4-yl)ethanone (PubChem CID 58654376) has the molecular formula C8H7N3OS and a molecular weight of 193.23 g/mol. Its IUPAC name is 1-(2-imidazol-1-yl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-imidazol-1-yl-1,3-thiazol-4-yl)ethanone
PubChem CID58654376
Molecular FormulaC8H7N3OS
Molecular Weight193.23 g/mol
Exact Mass193.03
IUPAC Name1-(2-imidazol-1-yl-1,3-thiazol-4-yl)ethanone
SMILESCC(=O)c1csc(-n2ccnc2)n1
InChIInChI=1S/C8H7N3OS/c1-6(12)7-4-13-8(10-7)11-3-2-9-5-11/h2-5H,1H3
InChIKeyIGDKPGGCJFMYKR-UHFFFAOYSA-N
XLogP1.53
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-imidazol-1-yl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 51048808
1-(2-amino-1,3-thiazol-4-yl)ethanone
CID 3111964
1-[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]ethanone
CID 65198190
1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone
CID 64544015
1-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone
CID 64543814
1-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-thiazol-4-yl]ethanone
CID 82751506
tert-butyl N-[4-(2-fluorophenyl)-2-[[3-(2-imidazol-1-yl-1,3-thiazol-4-yl)-3-oxopropanoyl]amino]phenyl]carbamate
CID 86588076
1-[2-(1,2,4-triazol-1-ylmethyl)-1,3-thiazol-4-yl]ethanone
CID 131008296
4-(4-acetyl-1,3-thiazol-2-yl)-3-methylpiperazine-2,6-dione
CID 66073903
1-[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]ethanone
CID 64544411
[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 90539491
N-(4-imidazol-1-ylphenyl)acetamide
CID 16761727

Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazol-1-yl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-(2-imidazol-1-yl-1,3-thiazol-4-yl)ethanone (CID 58654376) is 1-(2-imidazol-1-yl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-(2-imidazol-1-yl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-(2-imidazol-1-yl-1,3-thiazol-4-yl)ethanone is CC(=O)c1csc(-n2ccnc2)n1.
What is the InChIKey of 1-(2-imidazol-1-yl-1,3-thiazol-4-yl)ethanone?
The InChIKey is IGDKPGGCJFMYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3OS/c1-6(12)7-4-13-8(10-7)11-3-2-9-5-11/h2-5H,1H3.
What are the key properties of 1-(2-imidazol-1-yl-1,3-thiazol-4-yl)ethanone?
1-(2-imidazol-1-yl-1,3-thiazol-4-yl)ethanone has a molecular weight of 193.23 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imidazol-1-yl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 58654376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).