N-methyl-N-[2-[2-[2-[N-methyl-4-[(3-methyl-2H-1,3-thiazol-2-yl)diazenyl]anilino]ethoxy]ethoxy]ethyl]-4-[(3-methyl-2H-1,3-thiazol-2-yl)diazenyl]aniline

C28H38N8O2S2 — CID 121371926

IUPACN-methyl-N-[2-[2-[2-[N-methyl-4-[(3-methyl-2H-1,3-thiazol-2-yl)diazenyl]anilino]ethoxy]ethoxy]ethyl]-4-[(3-methyl-2H-1,3-thiazol-2-yl)diazenyl]aniline
SMILESCN(CCOCCOCCN(C)c1ccc(/N=N/C2SC=CN2C)cc1)c1ccc(/N=N/C2SC=CN2C)cc1
InChIInChI=1S/C28H38N8O2S2/c1-33(25-9-5-23(6-10-25)29-31-27-35(3)15-21-39-27)13-17-37-19-20-38-18-14-34(2)26-11-7-24(8-12-26)30-32-28-36(4)16-22-40-28/h5-12,15-16,21-22,27-28H,13-14,17-20H2,1-4H3/b31-29+,32-30+
InChIKeyRLCJPRZIANQGOC-JWTBXLROSA-N
MW582.80 g/mol
LogP6.33
Rot. Bonds15

About N-methyl-N-[2-[2-[2-[N-methyl-4-[(3-methyl-2H-1,3-thiazol-2-yl)diazenyl]anilino]ethoxy]ethoxy]ethyl]-4-[(3-methyl-2H-1,3-thiazol-2-yl)diazenyl]aniline

N-methyl-N-[2-[2-[2-[N-methyl-4-[(3-methyl-2H-1,3-thiazol-2-yl)diazenyl]anilino]ethoxy]ethoxy]ethyl]-4-[(3-methyl-2H-1,3-thiazol-2-yl)diazenyl]aniline (PubChem CID 121371926) has the molecular formula C28H38N8O2S2 and a molecular weight of 582.80 g/mol. Its IUPAC name is N-methyl-N-[2-[2-[2-[N-methyl-4-[(3-methyl-2H-1,3-thiazol-2-yl)diazenyl]anilino]ethoxy]ethoxy]ethyl]-4-[(3-methyl-2H-1,3-thiazol-2-yl)diazenyl]aniline.

Molecular Properties

Compound NameN-methyl-N-[2-[2-[2-[N-methyl-4-[(3-methyl-2H-1,3-thiazol-2-yl)diazenyl]anilino]ethoxy]ethoxy]ethyl]-4-[(3-methyl-2H-1,3-thiazol-2-yl)diazenyl]aniline
PubChem CID121371926
Molecular FormulaC28H38N8O2S2
Molecular Weight582.80 g/mol
Exact Mass582.26
IUPAC NameN-methyl-N-[2-[2-[2-[N-methyl-4-[(3-methyl-2H-1,3-thiazol-2-yl)diazenyl]anilino]ethoxy]ethoxy]ethyl]-4-[(3-methyl-2H-1,3-thiazol-2-yl)diazenyl]aniline
SMILESCN(CCOCCOCCN(C)c1ccc(/N=N/C2SC=CN2C)cc1)c1ccc(/N=N/C2SC=CN2C)cc1
InChIInChI=1S/C28H38N8O2S2/c1-33(25-9-5-23(6-10-25)29-31-27-35(3)15-21-39-27)13-17-37-19-20-38-18-14-34(2)26-11-7-24(8-12-26)30-32-28-36(4)16-22-40-28/h5-12,15-16,21-22,27-28H,13-14,17-20H2,1-4H3/b31-29+,32-30+
InChIKeyRLCJPRZIANQGOC-JWTBXLROSA-N
XLogP6.33
TPSA80.86 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms40
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500582.80
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[2-[2-[N-methyl-4-[(3-methyl-2H-1,3-thiazol-2-yl)diazenyl]anilino]ethoxy]ethoxy]ethyl]-4-[(3-methyl-2H-1,3-thiazol-2-yl)diazenyl]aniline?
The IUPAC name of N-methyl-N-[2-[2-[2-[N-methyl-4-[(3-methyl-2H-1,3-thiazol-2-yl)diazenyl]anilino]ethoxy]ethoxy]ethyl]-4-[(3-methyl-2H-1,3-thiazol-2-yl)diazenyl]aniline (CID 121371926) is N-methyl-N-[2-[2-[2-[N-methyl-4-[(3-methyl-2H-1,3-thiazol-2-yl)diazenyl]anilino]ethoxy]ethoxy]ethyl]-4-[(3-methyl-2H-1,3-thiazol-2-yl)diazenyl]aniline.
What is the SMILES notation for N-methyl-N-[2-[2-[2-[N-methyl-4-[(3-methyl-2H-1,3-thiazol-2-yl)diazenyl]anilino]ethoxy]ethoxy]ethyl]-4-[(3-methyl-2H-1,3-thiazol-2-yl)diazenyl]aniline?
The canonical SMILES for N-methyl-N-[2-[2-[2-[N-methyl-4-[(3-methyl-2H-1,3-thiazol-2-yl)diazenyl]anilino]ethoxy]ethoxy]ethyl]-4-[(3-methyl-2H-1,3-thiazol-2-yl)diazenyl]aniline is CN(CCOCCOCCN(C)c1ccc(/N=N/C2SC=CN2C)cc1)c1ccc(/N=N/C2SC=CN2C)cc1.
What is the InChIKey of N-methyl-N-[2-[2-[2-[N-methyl-4-[(3-methyl-2H-1,3-thiazol-2-yl)diazenyl]anilino]ethoxy]ethoxy]ethyl]-4-[(3-methyl-2H-1,3-thiazol-2-yl)diazenyl]aniline?
The InChIKey is RLCJPRZIANQGOC-JWTBXLROSA-N. The full InChI is InChI=1S/C28H38N8O2S2/c1-33(25-9-5-23(6-10-25)29-31-27-35(3)15-21-39-27)13-17-37-19-20-38-18-14-34(2)26-11-7-24(8-12-26)30-32-28-36(4)16-22-40-28/h5-12,15-16,21-22,27-28H,13-14,17-20H2,1-4H3/b31-29+,32-30+.
What are the key properties of N-methyl-N-[2-[2-[2-[N-methyl-4-[(3-methyl-2H-1,3-thiazol-2-yl)diazenyl]anilino]ethoxy]ethoxy]ethyl]-4-[(3-methyl-2H-1,3-thiazol-2-yl)diazenyl]aniline?
N-methyl-N-[2-[2-[2-[N-methyl-4-[(3-methyl-2H-1,3-thiazol-2-yl)diazenyl]anilino]ethoxy]ethoxy]ethyl]-4-[(3-methyl-2H-1,3-thiazol-2-yl)diazenyl]aniline has a molecular weight of 582.80 g/mol, XLogP of 6.33, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[2-[2-[N-methyl-4-[(3-methyl-2H-1,3-thiazol-2-yl)diazenyl]anilino]ethoxy]ethoxy]ethyl]-4-[(3-methyl-2H-1,3-thiazol-2-yl)diazenyl]aniline is sourced from PubChem (CID 121371926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).