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

C22H16Cl2N2S — CID 58791991

IUPACN-(3-benzylphenyl)-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine
SMILESClc1ccc(-c2csc(Nc3cccc(Cc4ccccc4)c3)n2)cc1Cl
InChIInChI=1S/C22H16Cl2N2S/c23-19-10-9-17(13-20(19)24)21-14-27-22(26-21)25-18-8-4-7-16(12-18)11-15-5-2-1-3-6-15/h1-10,12-14H,11H2,(H,25,26)
InChIKeyKKHINJRSLGOLBZ-UHFFFAOYSA-N
MW411.36 g/mol
LogP7.45
Rot. Bonds5

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

N-(3-benzylphenyl)-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine (PubChem CID 58791991) has the molecular formula C22H16Cl2N2S and a molecular weight of 411.36 g/mol. Its IUPAC name is N-(3-benzylphenyl)-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-benzylphenyl)-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine
PubChem CID58791991
Molecular FormulaC22H16Cl2N2S
Molecular Weight411.36 g/mol
Exact Mass410.04
IUPAC NameN-(3-benzylphenyl)-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine
SMILESClc1ccc(-c2csc(Nc3cccc(Cc4ccccc4)c3)n2)cc1Cl
InChIInChI=1S/C22H16Cl2N2S/c23-19-10-9-17(13-20(19)24)21-14-27-22(26-21)25-18-8-4-7-16(12-18)11-15-5-2-1-3-6-15/h1-10,12-14H,11H2,(H,25,26)
InChIKeyKKHINJRSLGOLBZ-UHFFFAOYSA-N
XLogP7.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.36
LogP ≤ 57.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dichlorophenyl)-N-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine
CID 58791226
methyl 3-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]benzoate
CID 84565454
2-[4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanol
CID 71814305
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
5-[2-(4-benzylanilino)-1,3-thiazol-4-yl]-2-hydroxybenzoic acid
CID 11516941
4-(2-chlorophenyl)-N-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine
CID 58791675
[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazine
CID 7174071
3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol
CID 877802
(2E)-2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-3-phenylpropanoic acid
CID 11668606
N-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 84564808
5-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2H-triazole-4-carboxylic acid
CID 155250270

Frequently Asked Questions

What is the IUPAC name of N-(3-benzylphenyl)-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(3-benzylphenyl)-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine (CID 58791991) is N-(3-benzylphenyl)-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-benzylphenyl)-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-benzylphenyl)-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine is Clc1ccc(-c2csc(Nc3cccc(Cc4ccccc4)c3)n2)cc1Cl.
What is the InChIKey of N-(3-benzylphenyl)-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine?
The InChIKey is KKHINJRSLGOLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N2S/c23-19-10-9-17(13-20(19)24)21-14-27-22(26-21)25-18-8-4-7-16(12-18)11-15-5-2-1-3-6-15/h1-10,12-14H,11H2,(H,25,26).
What are the key properties of N-(3-benzylphenyl)-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine?
N-(3-benzylphenyl)-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine has a molecular weight of 411.36 g/mol, XLogP of 7.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzylphenyl)-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 58791991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).