[2-methyl-4-[[2-methyl-4-[(5-pyrrolidin-1-ylthiophen-2-yl)diazenyl]phenyl]diazenyl]phenyl]-[4-(trifluoromethyl)-1,3-thiazol-2-yl]diazene

C26H23F3N8S2 — CID 88875056

IUPAC[2-methyl-4-[[2-methyl-4-[(5-pyrrolidin-1-ylthiophen-2-yl)diazenyl]phenyl]diazenyl]phenyl]-[4-(trifluoromethyl)-1,3-thiazol-2-yl]diazene
SMILESCc1cc(/N=N/c2ccc(N3CCCC3)s2)ccc1/N=N/c1ccc(/N=N/c2nc(C(F)(F)F)cs2)c(C)c1
InChIInChI=1S/C26H23F3N8S2/c1-16-14-19(32-35-23-9-10-24(39-23)37-11-3-4-12-37)6-7-20(16)33-31-18-5-8-21(17(2)13-18)34-36-25-30-22(15-38-25)26(27,28)29/h5-10,13-15H,3-4,11-12H2,1-2H3/b33-31+,35-32+,36-34+
InChIKeyQIWJDOWSZRIAHM-CEVKYTJQSA-N
MW568.65 g/mol
LogP10.69
Rot. Bonds7

About [2-methyl-4-[[2-methyl-4-[(5-pyrrolidin-1-ylthiophen-2-yl)diazenyl]phenyl]diazenyl]phenyl]-[4-(trifluoromethyl)-1,3-thiazol-2-yl]diazene

[2-methyl-4-[[2-methyl-4-[(5-pyrrolidin-1-ylthiophen-2-yl)diazenyl]phenyl]diazenyl]phenyl]-[4-(trifluoromethyl)-1,3-thiazol-2-yl]diazene (PubChem CID 88875056) has the molecular formula C26H23F3N8S2 and a molecular weight of 568.65 g/mol. Its IUPAC name is [2-methyl-4-[[2-methyl-4-[(5-pyrrolidin-1-ylthiophen-2-yl)diazenyl]phenyl]diazenyl]phenyl]-[4-(trifluoromethyl)-1,3-thiazol-2-yl]diazene.

Molecular Properties

Compound Name[2-methyl-4-[[2-methyl-4-[(5-pyrrolidin-1-ylthiophen-2-yl)diazenyl]phenyl]diazenyl]phenyl]-[4-(trifluoromethyl)-1,3-thiazol-2-yl]diazene
PubChem CID88875056
Molecular FormulaC26H23F3N8S2
Molecular Weight568.65 g/mol
Exact Mass568.14
IUPAC Name[2-methyl-4-[[2-methyl-4-[(5-pyrrolidin-1-ylthiophen-2-yl)diazenyl]phenyl]diazenyl]phenyl]-[4-(trifluoromethyl)-1,3-thiazol-2-yl]diazene
SMILESCc1cc(/N=N/c2ccc(N3CCCC3)s2)ccc1/N=N/c1ccc(/N=N/c2nc(C(F)(F)F)cs2)c(C)c1
InChIInChI=1S/C26H23F3N8S2/c1-16-14-19(32-35-23-9-10-24(39-23)37-11-3-4-12-37)6-7-20(16)33-31-18-5-8-21(17(2)13-18)34-36-25-30-22(15-38-25)26(27,28)29/h5-10,13-15H,3-4,11-12H2,1-2H3/b33-31+,35-32+,36-34+
InChIKeyQIWJDOWSZRIAHM-CEVKYTJQSA-N
XLogP10.69
TPSA90.29 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.65
LogP ≤ 510.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-[[2-methyl-4-[(5-pyrrolidin-1-ylthiophen-2-yl)diazenyl]phenyl]diazenyl]phenyl]-[4-(trifluoromethyl)-1,3-thiazol-2-yl]diazene?
The IUPAC name of [2-methyl-4-[[2-methyl-4-[(5-pyrrolidin-1-ylthiophen-2-yl)diazenyl]phenyl]diazenyl]phenyl]-[4-(trifluoromethyl)-1,3-thiazol-2-yl]diazene (CID 88875056) is [2-methyl-4-[[2-methyl-4-[(5-pyrrolidin-1-ylthiophen-2-yl)diazenyl]phenyl]diazenyl]phenyl]-[4-(trifluoromethyl)-1,3-thiazol-2-yl]diazene.
What is the SMILES notation for [2-methyl-4-[[2-methyl-4-[(5-pyrrolidin-1-ylthiophen-2-yl)diazenyl]phenyl]diazenyl]phenyl]-[4-(trifluoromethyl)-1,3-thiazol-2-yl]diazene?
The canonical SMILES for [2-methyl-4-[[2-methyl-4-[(5-pyrrolidin-1-ylthiophen-2-yl)diazenyl]phenyl]diazenyl]phenyl]-[4-(trifluoromethyl)-1,3-thiazol-2-yl]diazene is Cc1cc(/N=N/c2ccc(N3CCCC3)s2)ccc1/N=N/c1ccc(/N=N/c2nc(C(F)(F)F)cs2)c(C)c1.
What is the InChIKey of [2-methyl-4-[[2-methyl-4-[(5-pyrrolidin-1-ylthiophen-2-yl)diazenyl]phenyl]diazenyl]phenyl]-[4-(trifluoromethyl)-1,3-thiazol-2-yl]diazene?
The InChIKey is QIWJDOWSZRIAHM-CEVKYTJQSA-N. The full InChI is InChI=1S/C26H23F3N8S2/c1-16-14-19(32-35-23-9-10-24(39-23)37-11-3-4-12-37)6-7-20(16)33-31-18-5-8-21(17(2)13-18)34-36-25-30-22(15-38-25)26(27,28)29/h5-10,13-15H,3-4,11-12H2,1-2H3/b33-31+,35-32+,36-34+.
What are the key properties of [2-methyl-4-[[2-methyl-4-[(5-pyrrolidin-1-ylthiophen-2-yl)diazenyl]phenyl]diazenyl]phenyl]-[4-(trifluoromethyl)-1,3-thiazol-2-yl]diazene?
[2-methyl-4-[[2-methyl-4-[(5-pyrrolidin-1-ylthiophen-2-yl)diazenyl]phenyl]diazenyl]phenyl]-[4-(trifluoromethyl)-1,3-thiazol-2-yl]diazene has a molecular weight of 568.65 g/mol, XLogP of 10.69, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-[[2-methyl-4-[(5-pyrrolidin-1-ylthiophen-2-yl)diazenyl]phenyl]diazenyl]phenyl]-[4-(trifluoromethyl)-1,3-thiazol-2-yl]diazene is sourced from PubChem (CID 88875056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).