1-[2-(3-ethylimidazol-4-yl)-1,3-thiazol-5-yl]ethanone

C10H11N3OS — CID 66135458

IUPAC1-[2-(3-ethylimidazol-4-yl)-1,3-thiazol-5-yl]ethanone
SMILESCCn1cncc1-c1ncc(C(C)=O)s1
InChIInChI=1S/C10H11N3OS/c1-3-13-6-11-4-8(13)10-12-5-9(15-10)7(2)14/h4-6H,3H2,1-2H3
InChIKeyUPRYARVJBWOHHR-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.23
Rot. Bonds3

About 1-[2-(3-ethylimidazol-4-yl)-1,3-thiazol-5-yl]ethanone

1-[2-(3-ethylimidazol-4-yl)-1,3-thiazol-5-yl]ethanone (PubChem CID 66135458) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is 1-[2-(3-ethylimidazol-4-yl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(3-ethylimidazol-4-yl)-1,3-thiazol-5-yl]ethanone
PubChem CID66135458
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC Name1-[2-(3-ethylimidazol-4-yl)-1,3-thiazol-5-yl]ethanone
SMILESCCn1cncc1-c1ncc(C(C)=O)s1
InChIInChI=1S/C10H11N3OS/c1-3-13-6-11-4-8(13)10-12-5-9(15-10)7(2)14/h4-6H,3H2,1-2H3
InChIKeyUPRYARVJBWOHHR-UHFFFAOYSA-N
XLogP2.23
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(3-propylimidazol-4-yl)-1,3-thiazole-5-carboxylate
CID 80573879
1-[2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]ethanone
CID 130848604
1-[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]ethanone
CID 65198189
[2-(3-propylimidazol-4-yl)-1,3-thiazol-5-yl]methanol
CID 66139508
1-[2-(3,5-dichlorophenyl)-1,3-thiazol-5-yl]ethanone
CID 62652441
methyl 5-acetyl-2-(3-propylimidazol-4-yl)-1,3-thiazole-4-carboxylate
CID 106696007
2-(3-ethylimidazol-4-yl)benzoic acid
CID 115029530
2-[2-(3-ethylimidazol-4-yl)phenyl]acetic acid
CID 115037733
3-[4-(3-ethylimidazol-4-yl)phenyl]-2-methylpropanoic acid
CID 115054935
1-[2-(2-chlorophenyl)-1,3-thiazol-5-yl]ethanone
CID 1477653
2-(3-ethylimidazol-4-yl)phenol
CID 67055650
1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanone
CID 62756912

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethylimidazol-4-yl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(3-ethylimidazol-4-yl)-1,3-thiazol-5-yl]ethanone (CID 66135458) is 1-[2-(3-ethylimidazol-4-yl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(3-ethylimidazol-4-yl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(3-ethylimidazol-4-yl)-1,3-thiazol-5-yl]ethanone is CCn1cncc1-c1ncc(C(C)=O)s1.
What is the InChIKey of 1-[2-(3-ethylimidazol-4-yl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is UPRYARVJBWOHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-3-13-6-11-4-8(13)10-12-5-9(15-10)7(2)14/h4-6H,3H2,1-2H3.
What are the key properties of 1-[2-(3-ethylimidazol-4-yl)-1,3-thiazol-5-yl]ethanone?
1-[2-(3-ethylimidazol-4-yl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 221.28 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethylimidazol-4-yl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 66135458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).