4-(3,4-dichlorophenyl)-N-[4-[4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-3-methoxyphenyl]-2-methoxyphenyl]-1,3-thiazol-2-amine

C32H22Cl4N4O2S2 — CID 127037401

IUPAC4-(3,4-dichlorophenyl)-N-[4-[4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-3-methoxyphenyl]-2-methoxyphenyl]-1,3-thiazol-2-amine
SMILESCOc1cc(-c2ccc(Nc3nc(-c4ccc(Cl)c(Cl)c4)cs3)c(OC)c2)ccc1Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C32H22Cl4N4O2S2/c1-41-29-13-17(5-9-25(29)37-31-39-27(15-43-31)19-3-7-21(33)23(35)11-19)18-6-10-26(30(14-18)42-2)38-32-40-28(16-44-32)20-4-8-22(34)24(36)12-20/h3-16H,1-2H3,(H,37,39)(H,38,40)
InChIKeyXGFFHXJUYFHIMH-UHFFFAOYSA-N
MW700.50 g/mol
LogP11.72
Rot. Bonds9

About 4-(3,4-dichlorophenyl)-N-[4-[4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-3-methoxyphenyl]-2-methoxyphenyl]-1,3-thiazol-2-amine

4-(3,4-dichlorophenyl)-N-[4-[4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-3-methoxyphenyl]-2-methoxyphenyl]-1,3-thiazol-2-amine (PubChem CID 127037401) has the molecular formula C32H22Cl4N4O2S2 and a molecular weight of 700.50 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-N-[4-[4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-3-methoxyphenyl]-2-methoxyphenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-N-[4-[4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-3-methoxyphenyl]-2-methoxyphenyl]-1,3-thiazol-2-amine
PubChem CID127037401
Molecular FormulaC32H22Cl4N4O2S2
Molecular Weight700.50 g/mol
Exact Mass697.99
IUPAC Name4-(3,4-dichlorophenyl)-N-[4-[4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-3-methoxyphenyl]-2-methoxyphenyl]-1,3-thiazol-2-amine
SMILESCOc1cc(-c2ccc(Nc3nc(-c4ccc(Cl)c(Cl)c4)cs3)c(OC)c2)ccc1Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C32H22Cl4N4O2S2/c1-41-29-13-17(5-9-25(29)37-31-39-27(15-43-31)19-3-7-21(33)23(35)11-19)18-6-10-26(30(14-18)42-2)38-32-40-28(16-44-32)20-4-8-22(34)24(36)12-20/h3-16H,1-2H3,(H,37,39)(H,38,40)
InChIKeyXGFFHXJUYFHIMH-UHFFFAOYSA-N
XLogP11.72
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.50
LogP ≤ 511.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-(3,4-dichlorophenyl)-N-[4-[4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-3-methoxyphenyl]-2-methoxyphenyl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

N-[2-methoxy-4-[3-methoxy-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]phenyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 127037256
4-(3-chloro-4-methoxyphenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 166194851
4-(3-chloro-4-methoxyphenyl)-N-cyclopropyl-1,3-thiazol-2-amine
CID 8750909
N-[4-[2-(2,4-dimethoxyanilino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 1092446
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 58496045
N-(2-methoxyphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2303545
[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazine
CID 7174071
4-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2877323
N-(4-chloro-2-pyridinyl)-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 122499744
4-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 166194872
4-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 25101049
methyl 3-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]benzoate
CID 84565454

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-N-[4-[4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-3-methoxyphenyl]-2-methoxyphenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(3,4-dichlorophenyl)-N-[4-[4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-3-methoxyphenyl]-2-methoxyphenyl]-1,3-thiazol-2-amine (CID 127037401) is 4-(3,4-dichlorophenyl)-N-[4-[4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-3-methoxyphenyl]-2-methoxyphenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-N-[4-[4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-3-methoxyphenyl]-2-methoxyphenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-N-[4-[4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-3-methoxyphenyl]-2-methoxyphenyl]-1,3-thiazol-2-amine is COc1cc(-c2ccc(Nc3nc(-c4ccc(Cl)c(Cl)c4)cs3)c(OC)c2)ccc1Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-N-[4-[4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-3-methoxyphenyl]-2-methoxyphenyl]-1,3-thiazol-2-amine?
The InChIKey is XGFFHXJUYFHIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22Cl4N4O2S2/c1-41-29-13-17(5-9-25(29)37-31-39-27(15-43-31)19-3-7-21(33)23(35)11-19)18-6-10-26(30(14-18)42-2)38-32-40-28(16-44-32)20-4-8-22(34)24(36)12-20/h3-16H,1-2H3,(H,37,39)(H,38,40).
What are the key properties of 4-(3,4-dichlorophenyl)-N-[4-[4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-3-methoxyphenyl]-2-methoxyphenyl]-1,3-thiazol-2-amine?
4-(3,4-dichlorophenyl)-N-[4-[4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-3-methoxyphenyl]-2-methoxyphenyl]-1,3-thiazol-2-amine has a molecular weight of 700.50 g/mol, XLogP of 11.72, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-N-[4-[4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-3-methoxyphenyl]-2-methoxyphenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 127037401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).