4-(4-methylsulfanylphenyl)-N,5-diphenyl-1,3-thiazol-2-amine;hydrobromide

C22H19BrN2S2 — CID 17389451

IUPAC4-(4-methylsulfanylphenyl)-N,5-diphenyl-1,3-thiazol-2-amine;hydrobromide
SMILESBr.CSc1ccc(-c2nc(Nc3ccccc3)sc2-c2ccccc2)cc1
InChIInChI=1S/C22H18N2S2.BrH/c1-25-19-14-12-16(13-15-19)20-21(17-8-4-2-5-9-17)26-22(24-20)23-18-10-6-3-7-11-18;/h2-15H,1H3,(H,23,24);1H
InChIKeyNYIPVMRFLPWZAT-UHFFFAOYSA-N
MW455.45 g/mol
LogP7.52
Rot. Bonds5

About 4-(4-methylsulfanylphenyl)-N,5-diphenyl-1,3-thiazol-2-amine;hydrobromide

4-(4-methylsulfanylphenyl)-N,5-diphenyl-1,3-thiazol-2-amine;hydrobromide (PubChem CID 17389451) has the molecular formula C22H19BrN2S2 and a molecular weight of 455.45 g/mol. Its IUPAC name is 4-(4-methylsulfanylphenyl)-N,5-diphenyl-1,3-thiazol-2-amine;hydrobromide.

Molecular Properties

Compound Name4-(4-methylsulfanylphenyl)-N,5-diphenyl-1,3-thiazol-2-amine;hydrobromide
PubChem CID17389451
Molecular FormulaC22H19BrN2S2
Molecular Weight455.45 g/mol
Exact Mass454.02
IUPAC Name4-(4-methylsulfanylphenyl)-N,5-diphenyl-1,3-thiazol-2-amine;hydrobromide
SMILESBr.CSc1ccc(-c2nc(Nc3ccccc3)sc2-c2ccccc2)cc1
InChIInChI=1S/C22H18N2S2.BrH/c1-25-19-14-12-16(13-15-19)20-21(17-8-4-2-5-9-17)26-22(24-20)23-18-10-6-3-7-11-18;/h2-15H,1H3,(H,23,24);1H
InChIKeyNYIPVMRFLPWZAT-UHFFFAOYSA-N
XLogP7.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.45
LogP ≤ 57.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenyl)-N,5-diphenyl-1,3-thiazol-2-amine;hydrobromide
CID 2806453
2-chloro-5-(4-methylsulfanylphenyl)-4-phenyl-1,3-thiazole
CID 54283901
4-(4-chlorophenyl)-5-methyl-N-(4-methylsulfanylphenyl)-1,3-thiazol-2-amine
CID 118713967
[4-[[4-(4-methylsulfanylphenyl)-5-phenyl-1,3-thiazol-2-yl]sulfamoyl]phenyl] 2,2-dimethylpropanoate
CID 139660213
5-(4-methylsulfanylphenyl)-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine chloride
CID 24789686
4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine
CID 54029220
N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-methylsulfanylbenzamide
CID 43980747
5-N-methyl-2-N,5-N,4-triphenyl-1,3-thiazole-2,5-diamine
CID 4868296
methyl N-(4,5-diphenyl-1,3-thiazol-2-yl)carbamate
CID 1244319
1-(2-anilino-4-pyridin-4-yl-1,3-thiazol-5-yl)ethanone
CID 58242807
N-(4,5-diphenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 4107144
N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2,2-diphenylacetamide
CID 126062830

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfanylphenyl)-N,5-diphenyl-1,3-thiazol-2-amine;hydrobromide?
The IUPAC name of 4-(4-methylsulfanylphenyl)-N,5-diphenyl-1,3-thiazol-2-amine;hydrobromide (CID 17389451) is 4-(4-methylsulfanylphenyl)-N,5-diphenyl-1,3-thiazol-2-amine;hydrobromide.
What is the SMILES notation for 4-(4-methylsulfanylphenyl)-N,5-diphenyl-1,3-thiazol-2-amine;hydrobromide?
The canonical SMILES for 4-(4-methylsulfanylphenyl)-N,5-diphenyl-1,3-thiazol-2-amine;hydrobromide is Br.CSc1ccc(-c2nc(Nc3ccccc3)sc2-c2ccccc2)cc1.
What is the InChIKey of 4-(4-methylsulfanylphenyl)-N,5-diphenyl-1,3-thiazol-2-amine;hydrobromide?
The InChIKey is NYIPVMRFLPWZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2S2.BrH/c1-25-19-14-12-16(13-15-19)20-21(17-8-4-2-5-9-17)26-22(24-20)23-18-10-6-3-7-11-18;/h2-15H,1H3,(H,23,24);1H.
What are the key properties of 4-(4-methylsulfanylphenyl)-N,5-diphenyl-1,3-thiazol-2-amine;hydrobromide?
4-(4-methylsulfanylphenyl)-N,5-diphenyl-1,3-thiazol-2-amine;hydrobromide has a molecular weight of 455.45 g/mol, XLogP of 7.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfanylphenyl)-N,5-diphenyl-1,3-thiazol-2-amine;hydrobromide is sourced from PubChem (CID 17389451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).