4-(4-nitrosophenyl)-5-(3,4,5-triethylphenyl)-1,2-thiazole

C21H22N2OS — CID 88580193

IUPAC4-(4-nitrosophenyl)-5-(3,4,5-triethylphenyl)-1,2-thiazole
SMILESCCc1cc(-c2sncc2-c2ccc(N=O)cc2)cc(CC)c1CC
InChIInChI=1S/C21H22N2OS/c1-4-14-11-17(12-15(5-2)19(14)6-3)21-20(13-22-25-21)16-7-9-18(23-24)10-8-16/h7-13H,4-6H2,1-3H3
InChIKeyXHHTXWJNUIAPSF-UHFFFAOYSA-N
MW350.49 g/mol
LogP6.56
Rot. Bonds6

About 4-(4-nitrosophenyl)-5-(3,4,5-triethylphenyl)-1,2-thiazole

4-(4-nitrosophenyl)-5-(3,4,5-triethylphenyl)-1,2-thiazole (PubChem CID 88580193) has the molecular formula C21H22N2OS and a molecular weight of 350.49 g/mol. Its IUPAC name is 4-(4-nitrosophenyl)-5-(3,4,5-triethylphenyl)-1,2-thiazole.

Molecular Properties

Compound Name4-(4-nitrosophenyl)-5-(3,4,5-triethylphenyl)-1,2-thiazole
PubChem CID88580193
Molecular FormulaC21H22N2OS
Molecular Weight350.49 g/mol
Exact Mass350.15
IUPAC Name4-(4-nitrosophenyl)-5-(3,4,5-triethylphenyl)-1,2-thiazole
SMILESCCc1cc(-c2sncc2-c2ccc(N=O)cc2)cc(CC)c1CC
InChIInChI=1S/C21H22N2OS/c1-4-14-11-17(12-15(5-2)19(14)6-3)21-20(13-22-25-21)16-7-9-18(23-24)10-8-16/h7-13H,4-6H2,1-3H3
InChIKeyXHHTXWJNUIAPSF-UHFFFAOYSA-N
XLogP6.56
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.49
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-nitrosophenyl)-5-(3,4,5-triethylphenyl)-1,2-thiazole?
The IUPAC name of 4-(4-nitrosophenyl)-5-(3,4,5-triethylphenyl)-1,2-thiazole (CID 88580193) is 4-(4-nitrosophenyl)-5-(3,4,5-triethylphenyl)-1,2-thiazole.
What is the SMILES notation for 4-(4-nitrosophenyl)-5-(3,4,5-triethylphenyl)-1,2-thiazole?
The canonical SMILES for 4-(4-nitrosophenyl)-5-(3,4,5-triethylphenyl)-1,2-thiazole is CCc1cc(-c2sncc2-c2ccc(N=O)cc2)cc(CC)c1CC.
What is the InChIKey of 4-(4-nitrosophenyl)-5-(3,4,5-triethylphenyl)-1,2-thiazole?
The InChIKey is XHHTXWJNUIAPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2OS/c1-4-14-11-17(12-15(5-2)19(14)6-3)21-20(13-22-25-21)16-7-9-18(23-24)10-8-16/h7-13H,4-6H2,1-3H3.
What are the key properties of 4-(4-nitrosophenyl)-5-(3,4,5-triethylphenyl)-1,2-thiazole?
4-(4-nitrosophenyl)-5-(3,4,5-triethylphenyl)-1,2-thiazole has a molecular weight of 350.49 g/mol, XLogP of 6.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitrosophenyl)-5-(3,4,5-triethylphenyl)-1,2-thiazole is sourced from PubChem (CID 88580193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).