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

C21H16BrClN2S — CID 2806453

IUPAC4-(4-chlorophenyl)-N,5-diphenyl-1,3-thiazol-2-amine;hydrobromide
SMILESBr.Clc1ccc(-c2nc(Nc3ccccc3)sc2-c2ccccc2)cc1
InChIInChI=1S/C21H15ClN2S.BrH/c22-17-13-11-15(12-14-17)19-20(16-7-3-1-4-8-16)25-21(24-19)23-18-9-5-2-6-10-18;/h1-14H,(H,23,24);1H
InChIKeyPEDYJZSQBVKAAZ-UHFFFAOYSA-N
MW443.80 g/mol
LogP7.45
Rot. Bonds4

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

4-(4-chlorophenyl)-N,5-diphenyl-1,3-thiazol-2-amine;hydrobromide (PubChem CID 2806453) has the molecular formula C21H16BrClN2S and a molecular weight of 443.80 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N,5-diphenyl-1,3-thiazol-2-amine;hydrobromide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N,5-diphenyl-1,3-thiazol-2-amine;hydrobromide
PubChem CID2806453
Molecular FormulaC21H16BrClN2S
Molecular Weight443.80 g/mol
Exact Mass441.99
IUPAC Name4-(4-chlorophenyl)-N,5-diphenyl-1,3-thiazol-2-amine;hydrobromide
SMILESBr.Clc1ccc(-c2nc(Nc3ccccc3)sc2-c2ccccc2)cc1
InChIInChI=1S/C21H15ClN2S.BrH/c22-17-13-11-15(12-14-17)19-20(16-7-3-1-4-8-16)25-21(24-19)23-18-9-5-2-6-10-18;/h1-14H,(H,23,24);1H
InChIKeyPEDYJZSQBVKAAZ-UHFFFAOYSA-N
XLogP7.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.80
LogP ≤ 57.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylsulfanylphenyl)-N,5-diphenyl-1,3-thiazol-2-amine;hydrobromide
CID 17389451
4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-amine;hydrate;hydrobromide
CID 134095812
4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-amine
CID 2806452
4-chloro-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 2832302
4-(4-chlorophenyl)-5-phenyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine
CID 93005804
2-[2-(4-chloroanilino)-4-phenyl-1,3-thiazol-5-yl]-3-(4-chlorophenyl)quinazolin-4-one
CID 46933420
2-bromo-4,5-bis(4-chlorophenyl)-1,3-thiazole
CID 21409105
N-(4-chlorophenyl)-2,4-diphenyl-1,3-thiazol-5-amine
CID 3783256
2,5-dichloro-N-(4,5-diphenyl-1,3-thiazol-2-yl)benzamide
CID 4307755
(4R)-N-[5-(4-chlorophenyl)-4-phenyl-1,3-thiazol-2-yl]-4-hydroxy-4-phenylbutanamide
CID 126212541
N-[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2-nitrobenzamide
CID 2257051
2,4-dichloro-6-[(Z)-[[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 135892476

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N,5-diphenyl-1,3-thiazol-2-amine;hydrobromide?
The IUPAC name of 4-(4-chlorophenyl)-N,5-diphenyl-1,3-thiazol-2-amine;hydrobromide (CID 2806453) is 4-(4-chlorophenyl)-N,5-diphenyl-1,3-thiazol-2-amine;hydrobromide.
What is the SMILES notation for 4-(4-chlorophenyl)-N,5-diphenyl-1,3-thiazol-2-amine;hydrobromide?
The canonical SMILES for 4-(4-chlorophenyl)-N,5-diphenyl-1,3-thiazol-2-amine;hydrobromide is Br.Clc1ccc(-c2nc(Nc3ccccc3)sc2-c2ccccc2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N,5-diphenyl-1,3-thiazol-2-amine;hydrobromide?
The InChIKey is PEDYJZSQBVKAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2S.BrH/c22-17-13-11-15(12-14-17)19-20(16-7-3-1-4-8-16)25-21(24-19)23-18-9-5-2-6-10-18;/h1-14H,(H,23,24);1H.
What are the key properties of 4-(4-chlorophenyl)-N,5-diphenyl-1,3-thiazol-2-amine;hydrobromide?
4-(4-chlorophenyl)-N,5-diphenyl-1,3-thiazol-2-amine;hydrobromide has a molecular weight of 443.80 g/mol, XLogP of 7.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N,5-diphenyl-1,3-thiazol-2-amine;hydrobromide is sourced from PubChem (CID 2806453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).