4-(4-aminophenyl)-N-(2,5-dichlorophenyl)-1,3-thiazol-2-amine

C15H11Cl2N3S — CID 810304

IUPAC4-(4-aminophenyl)-N-(2,5-dichlorophenyl)-1,3-thiazol-2-amine
SMILESNc1ccc(-c2csc(Nc3cc(Cl)ccc3Cl)n2)cc1
InChIInChI=1S/C15H11Cl2N3S/c16-10-3-6-12(17)13(7-10)19-15-20-14(8-21-15)9-1-4-11(18)5-2-9/h1-8H,18H2,(H,19,20)
InChIKeyDRNNNLMGQKAHNH-UHFFFAOYSA-N
MW336.25 g/mol
LogP5.44
Rot. Bonds3

About 4-(4-aminophenyl)-N-(2,5-dichlorophenyl)-1,3-thiazol-2-amine

4-(4-aminophenyl)-N-(2,5-dichlorophenyl)-1,3-thiazol-2-amine (PubChem CID 810304) has the molecular formula C15H11Cl2N3S and a molecular weight of 336.25 g/mol. Its IUPAC name is 4-(4-aminophenyl)-N-(2,5-dichlorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-aminophenyl)-N-(2,5-dichlorophenyl)-1,3-thiazol-2-amine
PubChem CID810304
Molecular FormulaC15H11Cl2N3S
Molecular Weight336.25 g/mol
Exact Mass335.01
IUPAC Name4-(4-aminophenyl)-N-(2,5-dichlorophenyl)-1,3-thiazol-2-amine
SMILESNc1ccc(-c2csc(Nc3cc(Cl)ccc3Cl)n2)cc1
InChIInChI=1S/C15H11Cl2N3S/c16-10-3-6-12(17)13(7-10)19-15-20-14(8-21-15)9-1-4-11(18)5-2-9/h1-8H,18H2,(H,19,20)
InChIKeyDRNNNLMGQKAHNH-UHFFFAOYSA-N
XLogP5.44
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.25
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 25101049
N-(2,5-dichlorophenyl)-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 854639
2-(4-aminophenyl)-4-chloro-5-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol
CID 150886368
4-(3-chlorophenyl)-N-(2,4-dichlorophenyl)-1,3-thiazol-2-amine
CID 53338316
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
CID 28861353
4-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 1075886
4-[[4-(4-aminophenyl)-1,3-thiazol-2-yl]amino]phenol
CID 118708820
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-3-methylphenol
CID 972909
4-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,4-diamine bromide
CID 53346790
4-methyl-3-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,3-diamine
CID 82059283
2-amino-2-[2-(2,5-dichloroanilino)-1,3-thiazol-4-yl]acetic acid
CID 104527348
[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazine
CID 7174071

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-N-(2,5-dichlorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-aminophenyl)-N-(2,5-dichlorophenyl)-1,3-thiazol-2-amine (CID 810304) is 4-(4-aminophenyl)-N-(2,5-dichlorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-aminophenyl)-N-(2,5-dichlorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-aminophenyl)-N-(2,5-dichlorophenyl)-1,3-thiazol-2-amine is Nc1ccc(-c2csc(Nc3cc(Cl)ccc3Cl)n2)cc1.
What is the InChIKey of 4-(4-aminophenyl)-N-(2,5-dichlorophenyl)-1,3-thiazol-2-amine?
The InChIKey is DRNNNLMGQKAHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3S/c16-10-3-6-12(17)13(7-10)19-15-20-14(8-21-15)9-1-4-11(18)5-2-9/h1-8H,18H2,(H,19,20).
What are the key properties of 4-(4-aminophenyl)-N-(2,5-dichlorophenyl)-1,3-thiazol-2-amine?
4-(4-aminophenyl)-N-(2,5-dichlorophenyl)-1,3-thiazol-2-amine has a molecular weight of 336.25 g/mol, XLogP of 5.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-N-(2,5-dichlorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 810304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).