1-[4-[[2-[(4-piperidin-1-ylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethanone

C24H22N6OS2 — CID 129088562

IUPAC1-[4-[[2-[(4-piperidin-1-ylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(/N=N/c2cc3sc(/N=N/c4ccc(N5CCCCC5)cc4)nc3s2)cc1
InChIInChI=1S/C24H22N6OS2/c1-16(31)17-5-7-18(8-6-17)26-28-22-15-21-23(33-22)25-24(32-21)29-27-19-9-11-20(12-10-19)30-13-3-2-4-14-30/h5-12,15H,2-4,13-14H2,1H3/b28-26+,29-27+
InChIKeyWSDSPHSSWVCLII-TUUFZWAFSA-N
MW474.62 g/mol
LogP8.38
Rot. Bonds6

About 1-[4-[[2-[(4-piperidin-1-ylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethanone

1-[4-[[2-[(4-piperidin-1-ylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethanone (PubChem CID 129088562) has the molecular formula C24H22N6OS2 and a molecular weight of 474.62 g/mol. Its IUPAC name is 1-[4-[[2-[(4-piperidin-1-ylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[2-[(4-piperidin-1-ylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethanone
PubChem CID129088562
Molecular FormulaC24H22N6OS2
Molecular Weight474.62 g/mol
Exact Mass474.13
IUPAC Name1-[4-[[2-[(4-piperidin-1-ylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(/N=N/c2cc3sc(/N=N/c4ccc(N5CCCCC5)cc4)nc3s2)cc1
InChIInChI=1S/C24H22N6OS2/c1-16(31)17-5-7-18(8-6-17)26-28-22-15-21-23(33-22)25-24(32-21)29-27-19-9-11-20(12-10-19)30-13-3-2-4-14-30/h5-12,15H,2-4,13-14H2,1H3/b28-26+,29-27+
InChIKeyWSDSPHSSWVCLII-TUUFZWAFSA-N
XLogP8.38
TPSA82.64 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.62
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

butyl 4-[[2-[(4-pyrrolidin-1-ylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]benzoate
CID 129101773
1-[4-[[2-[[4-[methyl(propyl)amino]phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethanone
CID 129088574
4-[[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-diethylaniline;4-[[5-[(4-butylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazenyl]-N,N-dihexylaniline;(4-butylphenyl)-[5-[(4-pyrrolidin-1-ylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-2-yl]diazene;(5-butylthieno[2,3-d][1,3]thiazol-2-yl)-[4-[(5-methylthieno[2,3-d][1,3]thiazol-2-yl)diazenyl]phenyl]diazene;1-[4-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethanone
CID 160920861
(4-butylphenyl) (Z)-2-(4-butylphenyl)-3-[2-[(4-pyrrolidin-1-ylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]prop-2-enoate
CID 170369102
4-[[4-[(4-piperidin-1-ylphenyl)diazenyl]phenyl]diazenyl]benzoic acid
CID 129101829
9-[4-[[2-[[4-(dimethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenoxy]nonyl propanoate
CID 169302322
1-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]ethanone
CID 20673114
1-[4-[4-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 90611813
1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea
CID 108992265
1-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]ethanone
CID 143437550
1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
CID 20729332
1-[4-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]phenyl]ethanone
CID 126236474

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-[(4-piperidin-1-ylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethanone?
The IUPAC name of 1-[4-[[2-[(4-piperidin-1-ylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethanone (CID 129088562) is 1-[4-[[2-[(4-piperidin-1-ylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[2-[(4-piperidin-1-ylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[[2-[(4-piperidin-1-ylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethanone is CC(=O)c1ccc(/N=N/c2cc3sc(/N=N/c4ccc(N5CCCCC5)cc4)nc3s2)cc1.
What is the InChIKey of 1-[4-[[2-[(4-piperidin-1-ylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethanone?
The InChIKey is WSDSPHSSWVCLII-TUUFZWAFSA-N. The full InChI is InChI=1S/C24H22N6OS2/c1-16(31)17-5-7-18(8-6-17)26-28-22-15-21-23(33-22)25-24(32-21)29-27-19-9-11-20(12-10-19)30-13-3-2-4-14-30/h5-12,15H,2-4,13-14H2,1H3/b28-26+,29-27+.
What are the key properties of 1-[4-[[2-[(4-piperidin-1-ylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethanone?
1-[4-[[2-[(4-piperidin-1-ylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethanone has a molecular weight of 474.62 g/mol, XLogP of 8.38, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-[(4-piperidin-1-ylphenyl)diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethanone is sourced from PubChem (CID 129088562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).