5-[2-(1-methylimidazol-2-yl)sulfonylethyl]-1,3-thiazole

C9H11N3O2S2 — CID 141083646

IUPAC5-[2-(1-methylimidazol-2-yl)sulfonylethyl]-1,3-thiazole
SMILESCn1ccnc1S(=O)(=O)CCc1cncs1
InChIInChI=1S/C9H11N3O2S2/c1-12-4-3-11-9(12)16(13,14)5-2-8-6-10-7-15-8/h3-4,6-7H,2,5H2,1H3
InChIKeyHLSJZOZFTYVBJG-UHFFFAOYSA-N
MW257.34 g/mol
LogP0.89
Rot. Bonds4

About 5-[2-(1-methylimidazol-2-yl)sulfonylethyl]-1,3-thiazole

5-[2-(1-methylimidazol-2-yl)sulfonylethyl]-1,3-thiazole (PubChem CID 141083646) has the molecular formula C9H11N3O2S2 and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-[2-(1-methylimidazol-2-yl)sulfonylethyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[2-(1-methylimidazol-2-yl)sulfonylethyl]-1,3-thiazole
PubChem CID141083646
Molecular FormulaC9H11N3O2S2
Molecular Weight257.34 g/mol
Exact Mass257.03
IUPAC Name5-[2-(1-methylimidazol-2-yl)sulfonylethyl]-1,3-thiazole
SMILESCn1ccnc1S(=O)(=O)CCc1cncs1
InChIInChI=1S/C9H11N3O2S2/c1-12-4-3-11-9(12)16(13,14)5-2-8-6-10-7-15-8/h3-4,6-7H,2,5H2,1H3
InChIKeyHLSJZOZFTYVBJG-UHFFFAOYSA-N
XLogP0.89
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(1-methylimidazol-2-yl)-2-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 105258067
N,N-dimethyl-3-(1-methylimidazol-2-yl)sulfonylpropan-1-amine
CID 141130547
4-(1-methylimidazol-2-yl)sulfonylbutanenitrile
CID 75499829
5-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]-1,3-thiazole
CID 141119434
1-(1,3-thiazol-5-yl)hexan-3-one
CID 112641236
2-(1,3-thiazol-5-yl)ethyl 3-methylpyridine-2-carboxylate
CID 146132900
5-(4-chlorobutyl)-1,3-thiazole
CID 112644725
N-[ethyl-(1-methylimidazol-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride
CID 125425011
2-methyl-3-(1,3-thiazol-5-ylmethylsulfonyl)propan-1-amine
CID 112645685
5-(chloromethyl)-1,3-thiazole;ethane-1,2-disulfonic acid
CID 21127558
3-(1,3-thiazol-5-yl)propanoic acid
CID 45121677
[1-(1-methylimidazol-2-yl)-3-methylsulfonylpropyl]hydrazine
CID 114984867

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-methylimidazol-2-yl)sulfonylethyl]-1,3-thiazole?
The IUPAC name of 5-[2-(1-methylimidazol-2-yl)sulfonylethyl]-1,3-thiazole (CID 141083646) is 5-[2-(1-methylimidazol-2-yl)sulfonylethyl]-1,3-thiazole.
What is the SMILES notation for 5-[2-(1-methylimidazol-2-yl)sulfonylethyl]-1,3-thiazole?
The canonical SMILES for 5-[2-(1-methylimidazol-2-yl)sulfonylethyl]-1,3-thiazole is Cn1ccnc1S(=O)(=O)CCc1cncs1.
What is the InChIKey of 5-[2-(1-methylimidazol-2-yl)sulfonylethyl]-1,3-thiazole?
The InChIKey is HLSJZOZFTYVBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S2/c1-12-4-3-11-9(12)16(13,14)5-2-8-6-10-7-15-8/h3-4,6-7H,2,5H2,1H3.
What are the key properties of 5-[2-(1-methylimidazol-2-yl)sulfonylethyl]-1,3-thiazole?
5-[2-(1-methylimidazol-2-yl)sulfonylethyl]-1,3-thiazole has a molecular weight of 257.34 g/mol, XLogP of 0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-methylimidazol-2-yl)sulfonylethyl]-1,3-thiazole is sourced from PubChem (CID 141083646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).