4-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfonylmethyl]-2-propan-2-yl-1,3-thiazole

C18H21N3O2S2 — CID 55833250

IUPAC4-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfonylmethyl]-2-propan-2-yl-1,3-thiazole
SMILESCc1ccc(C)c(-n2ccnc2S(=O)(=O)Cc2csc(C(C)C)n2)c1
InChIInChI=1S/C18H21N3O2S2/c1-12(2)17-20-15(10-24-17)11-25(22,23)18-19-7-8-21(18)16-9-13(3)5-6-14(16)4/h5-10,12H,11H2,1-4H3
InChIKeyMRBAKEOAMRLDRU-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.04
Rot. Bonds5

About 4-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfonylmethyl]-2-propan-2-yl-1,3-thiazole

4-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfonylmethyl]-2-propan-2-yl-1,3-thiazole (PubChem CID 55833250) has the molecular formula C18H21N3O2S2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 4-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfonylmethyl]-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfonylmethyl]-2-propan-2-yl-1,3-thiazole
PubChem CID55833250
Molecular FormulaC18H21N3O2S2
Molecular Weight375.52 g/mol
Exact Mass375.11
IUPAC Name4-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfonylmethyl]-2-propan-2-yl-1,3-thiazole
SMILESCc1ccc(C)c(-n2ccnc2S(=O)(=O)Cc2csc(C(C)C)n2)c1
InChIInChI=1S/C18H21N3O2S2/c1-12(2)17-20-15(10-24-17)11-25(22,23)18-19-7-8-21(18)16-9-13(3)5-6-14(16)4/h5-10,12H,11H2,1-4H3
InChIKeyMRBAKEOAMRLDRU-UHFFFAOYSA-N
XLogP4.04
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfonylmethyl]-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 4-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfonylmethyl]-2-propan-2-yl-1,3-thiazole (CID 55833250) is 4-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfonylmethyl]-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 4-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfonylmethyl]-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 4-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfonylmethyl]-2-propan-2-yl-1,3-thiazole is Cc1ccc(C)c(-n2ccnc2S(=O)(=O)Cc2csc(C(C)C)n2)c1.
What is the InChIKey of 4-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfonylmethyl]-2-propan-2-yl-1,3-thiazole?
The InChIKey is MRBAKEOAMRLDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S2/c1-12(2)17-20-15(10-24-17)11-25(22,23)18-19-7-8-21(18)16-9-13(3)5-6-14(16)4/h5-10,12H,11H2,1-4H3.
What are the key properties of 4-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfonylmethyl]-2-propan-2-yl-1,3-thiazole?
4-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfonylmethyl]-2-propan-2-yl-1,3-thiazole has a molecular weight of 375.52 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfonylmethyl]-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 55833250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).