2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]quinoline-8-sulfonamide

C26H22N4O2S2 — CID 141218719

IUPAC2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]quinoline-8-sulfonamide
SMILESCCCc1cc(-c2nc(-c3ccc(-c4ccc5cccc(S(N)(=O)=O)c5n4)cc3)cs2)ccn1
InChIInChI=1S/C26H22N4O2S2/c1-2-4-21-15-20(13-14-28-21)26-30-23(16-33-26)18-9-7-17(8-10-18)22-12-11-19-5-3-6-24(25(19)29-22)34(27,31)32/h3,5-16H,2,4H2,1H3,(H2,27,31,32)
InChIKeyVMSWYFBYESFYLP-UHFFFAOYSA-N
MW486.62 g/mol
LogP5.69
Rot. Bonds6

About 2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]quinoline-8-sulfonamide

2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]quinoline-8-sulfonamide (PubChem CID 141218719) has the molecular formula C26H22N4O2S2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]quinoline-8-sulfonamide.

Molecular Properties

Compound Name2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]quinoline-8-sulfonamide
PubChem CID141218719
Molecular FormulaC26H22N4O2S2
Molecular Weight486.62 g/mol
Exact Mass486.12
IUPAC Name2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]quinoline-8-sulfonamide
SMILESCCCc1cc(-c2nc(-c3ccc(-c4ccc5cccc(S(N)(=O)=O)c5n4)cc3)cs2)ccn1
InChIInChI=1S/C26H22N4O2S2/c1-2-4-21-15-20(13-14-28-21)26-30-23(16-33-26)18-9-7-17(8-10-18)22-12-11-19-5-3-6-24(25(19)29-22)34(27,31)32/h3,5-16H,2,4H2,1H3,(H2,27,31,32)
InChIKeyVMSWYFBYESFYLP-UHFFFAOYSA-N
XLogP5.69
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.62
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(2-phenylethyl)phenyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole
CID 159855197
N-benzyl-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline
CID 25012899
N,N-dimethyl-2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethanamine
CID 118709521
N-methyl-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]-N-(trifluoromethylsulfanyl)aniline
CID 134549821
2-octylquinoline-8-sulfonamide
CID 67803387
4-[2-(6-propyl-2-pyridinyl)-1,3-thiazol-4-yl]aniline
CID 163504277
2-[2-(methoxymethyl)-4-pyridinyl]-4-(4-methylphenyl)-1,3-thiazole
CID 145149584
3-[4-(4-ethyl-3-pyridinyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 22049774
4-[4-(4-propylphenyl)-1,3-thiazol-2-yl]aniline
CID 43667849
[3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983736
4-(2-propyl-4-pyridinyl)benzenesulfonic acid
CID 21452097
2-[2-(cyclohexylmethyl)-4-pyridinyl]-4-(4-methylphenyl)-1,3-thiazole;formaldehyde
CID 144801100

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]quinoline-8-sulfonamide?
The IUPAC name of 2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]quinoline-8-sulfonamide (CID 141218719) is 2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]quinoline-8-sulfonamide.
What is the SMILES notation for 2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]quinoline-8-sulfonamide?
The canonical SMILES for 2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]quinoline-8-sulfonamide is CCCc1cc(-c2nc(-c3ccc(-c4ccc5cccc(S(N)(=O)=O)c5n4)cc3)cs2)ccn1.
What is the InChIKey of 2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]quinoline-8-sulfonamide?
The InChIKey is VMSWYFBYESFYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2S2/c1-2-4-21-15-20(13-14-28-21)26-30-23(16-33-26)18-9-7-17(8-10-18)22-12-11-19-5-3-6-24(25(19)29-22)34(27,31)32/h3,5-16H,2,4H2,1H3,(H2,27,31,32).
What are the key properties of 2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]quinoline-8-sulfonamide?
2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]quinoline-8-sulfonamide has a molecular weight of 486.62 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]quinoline-8-sulfonamide is sourced from PubChem (CID 141218719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).