5-[[1-(3-chlorophenyl)imidazol-2-yl]sulfonylmethyl]-2-methyl-1,3-thiazole

C14H12ClN3O2S2 — CID 167990569

IUPAC5-[[1-(3-chlorophenyl)imidazol-2-yl]sulfonylmethyl]-2-methyl-1,3-thiazole
SMILESCc1ncc(CS(=O)(=O)c2nccn2-c2cccc(Cl)c2)s1
InChIInChI=1S/C14H12ClN3O2S2/c1-10-17-8-13(21-10)9-22(19,20)14-16-5-6-18(14)12-4-2-3-11(15)7-12/h2-8H,9H2,1H3
InChIKeyALJHTRSPAOHEDB-UHFFFAOYSA-N
MW353.86 g/mol
LogP3.26
Rot. Bonds4

About 5-[[1-(3-chlorophenyl)imidazol-2-yl]sulfonylmethyl]-2-methyl-1,3-thiazole

5-[[1-(3-chlorophenyl)imidazol-2-yl]sulfonylmethyl]-2-methyl-1,3-thiazole (PubChem CID 167990569) has the molecular formula C14H12ClN3O2S2 and a molecular weight of 353.86 g/mol. Its IUPAC name is 5-[[1-(3-chlorophenyl)imidazol-2-yl]sulfonylmethyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[[1-(3-chlorophenyl)imidazol-2-yl]sulfonylmethyl]-2-methyl-1,3-thiazole
PubChem CID167990569
Molecular FormulaC14H12ClN3O2S2
Molecular Weight353.86 g/mol
Exact Mass353.01
IUPAC Name5-[[1-(3-chlorophenyl)imidazol-2-yl]sulfonylmethyl]-2-methyl-1,3-thiazole
SMILESCc1ncc(CS(=O)(=O)c2nccn2-c2cccc(Cl)c2)s1
InChIInChI=1S/C14H12ClN3O2S2/c1-10-17-8-13(21-10)9-22(19,20)14-16-5-6-18(14)12-4-2-3-11(15)7-12/h2-8H,9H2,1H3
InChIKeyALJHTRSPAOHEDB-UHFFFAOYSA-N
XLogP3.26
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.86
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(3-chlorophenyl)imidazol-2-yl]sulfonylmethyl]-2-methyl-1,3-thiazole?
The IUPAC name of 5-[[1-(3-chlorophenyl)imidazol-2-yl]sulfonylmethyl]-2-methyl-1,3-thiazole (CID 167990569) is 5-[[1-(3-chlorophenyl)imidazol-2-yl]sulfonylmethyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-[[1-(3-chlorophenyl)imidazol-2-yl]sulfonylmethyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 5-[[1-(3-chlorophenyl)imidazol-2-yl]sulfonylmethyl]-2-methyl-1,3-thiazole is Cc1ncc(CS(=O)(=O)c2nccn2-c2cccc(Cl)c2)s1.
What is the InChIKey of 5-[[1-(3-chlorophenyl)imidazol-2-yl]sulfonylmethyl]-2-methyl-1,3-thiazole?
The InChIKey is ALJHTRSPAOHEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2S2/c1-10-17-8-13(21-10)9-22(19,20)14-16-5-6-18(14)12-4-2-3-11(15)7-12/h2-8H,9H2,1H3.
What are the key properties of 5-[[1-(3-chlorophenyl)imidazol-2-yl]sulfonylmethyl]-2-methyl-1,3-thiazole?
5-[[1-(3-chlorophenyl)imidazol-2-yl]sulfonylmethyl]-2-methyl-1,3-thiazole has a molecular weight of 353.86 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(3-chlorophenyl)imidazol-2-yl]sulfonylmethyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 167990569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).