2-(4-aminophenyl)-4-chloro-5-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol

C22H18ClN3O2S — CID 150886368

IUPAC2-(4-aminophenyl)-4-chloro-5-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol
SMILESCOc1ccc(-c2csc(Nc3cc(O)c(-c4ccc(N)cc4)cc3Cl)n2)cc1
InChIInChI=1S/C22H18ClN3O2S/c1-28-16-8-4-14(5-9-16)20-12-29-22(26-20)25-19-11-21(27)17(10-18(19)23)13-2-6-15(24)7-3-13/h2-12,27H,24H2,1H3,(H,25,26)
InChIKeyKXCAYYUZKBULTO-UHFFFAOYSA-N
MW423.93 g/mol
LogP6.17
Rot. Bonds5

About 2-(4-aminophenyl)-4-chloro-5-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol

2-(4-aminophenyl)-4-chloro-5-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol (PubChem CID 150886368) has the molecular formula C22H18ClN3O2S and a molecular weight of 423.93 g/mol. Its IUPAC name is 2-(4-aminophenyl)-4-chloro-5-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol.

Molecular Properties

Compound Name2-(4-aminophenyl)-4-chloro-5-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol
PubChem CID150886368
Molecular FormulaC22H18ClN3O2S
Molecular Weight423.93 g/mol
Exact Mass423.08
IUPAC Name2-(4-aminophenyl)-4-chloro-5-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol
SMILESCOc1ccc(-c2csc(Nc3cc(O)c(-c4ccc(N)cc4)cc3Cl)n2)cc1
InChIInChI=1S/C22H18ClN3O2S/c1-28-16-8-4-14(5-9-16)20-12-29-22(26-20)25-19-11-21(27)17(10-18(19)23)13-2-6-15(24)7-3-13/h2-12,27H,24H2,1H3,(H,25,26)
InChIKeyKXCAYYUZKBULTO-UHFFFAOYSA-N
XLogP6.17
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.93
LogP ≤ 56.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-aminophenyl)-N-(2,5-dichlorophenyl)-1,3-thiazol-2-amine
CID 810304
4-(2,4-dimethoxyphenyl)-N-(2,4,5-trichlorophenyl)-1,3-thiazol-2-amine
CID 58910662
N-(2,4-dichlorophenyl)-4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 58496015
4-(4-methoxyphenyl)-N-(2-methylphenyl)-1,3-thiazol-2-amine
CID 853927
[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazine
CID 5211248
3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol
CID 768029
N-[4-[2-(2,4-dimethoxyanilino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 1092446
4-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 25101049
4-[[4-(4-aminophenyl)-1,3-thiazol-2-yl]amino]phenol
CID 118708820
4-(2,5-dimethoxyphenyl)-N-(2-phenylphenyl)-1,3-thiazol-2-amine
CID 101224288
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
4-(4-aminophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-amine
CID 13155729

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-4-chloro-5-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol?
The IUPAC name of 2-(4-aminophenyl)-4-chloro-5-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol (CID 150886368) is 2-(4-aminophenyl)-4-chloro-5-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol.
What is the SMILES notation for 2-(4-aminophenyl)-4-chloro-5-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol?
The canonical SMILES for 2-(4-aminophenyl)-4-chloro-5-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol is COc1ccc(-c2csc(Nc3cc(O)c(-c4ccc(N)cc4)cc3Cl)n2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-4-chloro-5-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol?
The InChIKey is KXCAYYUZKBULTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O2S/c1-28-16-8-4-14(5-9-16)20-12-29-22(26-20)25-19-11-21(27)17(10-18(19)23)13-2-6-15(24)7-3-13/h2-12,27H,24H2,1H3,(H,25,26).
What are the key properties of 2-(4-aminophenyl)-4-chloro-5-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol?
2-(4-aminophenyl)-4-chloro-5-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol has a molecular weight of 423.93 g/mol, XLogP of 6.17, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-4-chloro-5-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol is sourced from PubChem (CID 150886368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).