N-[(E)-(2,4-dichlorophenyl)methylideneamino]-5-[[3-[[2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]diazenyl]phenyl]diazenyl]-4-methyl-1,3-thiazol-2-amine

C28H20Cl4N10S2 — CID 139237894

IUPACN-[(E)-(2,4-dichlorophenyl)methylideneamino]-5-[[3-[[2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]diazenyl]phenyl]diazenyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N/N=C/c2ccc(Cl)cc2Cl)sc1/N=N/c1cccc(/N=N/c2sc(N/N=C/c3ccc(Cl)cc3Cl)nc2C)c1
InChIInChI=1S/C28H20Cl4N10S2/c1-15-25(43-27(35-15)41-33-13-17-6-8-19(29)10-23(17)31)39-37-21-4-3-5-22(12-21)38-40-26-16(2)36-28(44-26)42-34-14-18-7-9-20(30)11-24(18)32/h3-14H,1-2H3,(H,35,41)(H,36,42)/b33-13+,34-14+,39-37+,40-38+
InChIKeyKEUHRVBCAZWLBM-DRXGTNRSSA-N
MW702.48 g/mol
LogP11.55
Rot. Bonds10

About N-[(E)-(2,4-dichlorophenyl)methylideneamino]-5-[[3-[[2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]diazenyl]phenyl]diazenyl]-4-methyl-1,3-thiazol-2-amine

N-[(E)-(2,4-dichlorophenyl)methylideneamino]-5-[[3-[[2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]diazenyl]phenyl]diazenyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 139237894) has the molecular formula C28H20Cl4N10S2 and a molecular weight of 702.48 g/mol. Its IUPAC name is N-[(E)-(2,4-dichlorophenyl)methylideneamino]-5-[[3-[[2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]diazenyl]phenyl]diazenyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(E)-(2,4-dichlorophenyl)methylideneamino]-5-[[3-[[2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]diazenyl]phenyl]diazenyl]-4-methyl-1,3-thiazol-2-amine
PubChem CID139237894
Molecular FormulaC28H20Cl4N10S2
Molecular Weight702.48 g/mol
Exact Mass700.01
IUPAC NameN-[(E)-(2,4-dichlorophenyl)methylideneamino]-5-[[3-[[2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]diazenyl]phenyl]diazenyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N/N=C/c2ccc(Cl)cc2Cl)sc1/N=N/c1cccc(/N=N/c2sc(N/N=C/c3ccc(Cl)cc3Cl)nc2C)c1
InChIInChI=1S/C28H20Cl4N10S2/c1-15-25(43-27(35-15)41-33-13-17-6-8-19(29)10-23(17)31)39-37-21-4-3-5-22(12-21)38-40-26-16(2)36-28(44-26)42-34-14-18-7-9-20(30)11-24(18)32/h3-14H,1-2H3,(H,35,41)(H,36,42)/b33-13+,34-14+,39-37+,40-38+
InChIKeyKEUHRVBCAZWLBM-DRXGTNRSSA-N
XLogP11.55
TPSA124.00 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500702.48
LogP ≤ 511.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chlorophenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 4074619
methyl 2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-5-phenyl-1,3-thiazole-4-carboxylate
CID 3258589
2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-ol
CID 71600038
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-5-pyridin-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 171980649
N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]benzamide
CID 27315818
N-[(2,4-dichlorophenyl)methylideneamino]methanamine
CID 67650124
methyl 2-[(2Z)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 110536252
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine
CID 94848933
3,5,6-trichloro-4-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]pyridine-2-carboxylic acid
CID 21240957
[(2,4-dichlorophenyl)methylideneamino]carbamic acid
CID 70469242
N-[(E)-(1-chloro-3,4-dihydronaphthalen-2-yl)methylideneamino]-5-[(4-methoxyphenyl)diazenyl]-4-methyl-1,3-thiazol-2-amine
CID 135665908
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 110532002

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-5-[[3-[[2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]diazenyl]phenyl]diazenyl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-5-[[3-[[2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]diazenyl]phenyl]diazenyl]-4-methyl-1,3-thiazol-2-amine (CID 139237894) is N-[(E)-(2,4-dichlorophenyl)methylideneamino]-5-[[3-[[2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]diazenyl]phenyl]diazenyl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-5-[[3-[[2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]diazenyl]phenyl]diazenyl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-5-[[3-[[2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]diazenyl]phenyl]diazenyl]-4-methyl-1,3-thiazol-2-amine is Cc1nc(N/N=C/c2ccc(Cl)cc2Cl)sc1/N=N/c1cccc(/N=N/c2sc(N/N=C/c3ccc(Cl)cc3Cl)nc2C)c1.
What is the InChIKey of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-5-[[3-[[2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]diazenyl]phenyl]diazenyl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is KEUHRVBCAZWLBM-DRXGTNRSSA-N. The full InChI is InChI=1S/C28H20Cl4N10S2/c1-15-25(43-27(35-15)41-33-13-17-6-8-19(29)10-23(17)31)39-37-21-4-3-5-22(12-21)38-40-26-16(2)36-28(44-26)42-34-14-18-7-9-20(30)11-24(18)32/h3-14H,1-2H3,(H,35,41)(H,36,42)/b33-13+,34-14+,39-37+,40-38+.
What are the key properties of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-5-[[3-[[2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]diazenyl]phenyl]diazenyl]-4-methyl-1,3-thiazol-2-amine?
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-5-[[3-[[2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]diazenyl]phenyl]diazenyl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 702.48 g/mol, XLogP of 11.55, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-5-[[3-[[2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]diazenyl]phenyl]diazenyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 139237894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).