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

C16H14BrClN2S — CID 2806464

IUPAC4-(4-chlorophenyl)-5-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide
SMILESBr.Cc1ccc(-c2sc(N)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H13ClN2S.BrH/c1-10-2-4-12(5-3-10)15-14(19-16(18)20-15)11-6-8-13(17)9-7-11;/h2-9H,1H3,(H2,18,19);1H
InChIKeyASRAAUFOOWVIHA-UHFFFAOYSA-N
MW381.73 g/mol
LogP5.60
Rot. Bonds2

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

4-(4-chlorophenyl)-5-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide (PubChem CID 2806464) has the molecular formula C16H14BrClN2S and a molecular weight of 381.73 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide
PubChem CID2806464
Molecular FormulaC16H14BrClN2S
Molecular Weight381.73 g/mol
Exact Mass379.97
IUPAC Name4-(4-chlorophenyl)-5-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide
SMILESBr.Cc1ccc(-c2sc(N)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H13ClN2S.BrH/c1-10-2-4-12(5-3-10)15-14(19-16(18)20-15)11-6-8-13(17)9-7-11;/h2-9H,1H3,(H2,18,19);1H
InChIKeyASRAAUFOOWVIHA-UHFFFAOYSA-N
XLogP5.60
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.73
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-(4-methylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-amine
CID 11184721
4-(3-chloro-4-methylphenyl)-5-(4-methylphenyl)-1,3-thiazol-2-amine
CID 141101949
2-bromo-4,5-bis(4-chlorophenyl)-1,3-thiazole
CID 21409105
5-(4-chlorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
CID 82106922
N-[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]-4-chlorobenzamide
CID 35673976
4,5-bis(4-chlorophenyl)-2-methylsulfanyl-1,3-thiazole
CID 13209660
4-(4-methoxyphenyl)-5-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 88568617
4-(4-chlorophenyl)-N,5-diphenyl-1,3-thiazol-2-amine;hydrobromide
CID 2806453
4-[2-chloro-5-(4-chlorophenyl)-1,3-thiazol-4-yl]phenol
CID 21409060
4-chloro-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 2832302

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide?
The IUPAC name of 4-(4-chlorophenyl)-5-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide (CID 2806464) is 4-(4-chlorophenyl)-5-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide.
What is the SMILES notation for 4-(4-chlorophenyl)-5-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide?
The canonical SMILES for 4-(4-chlorophenyl)-5-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide is Br.Cc1ccc(-c2sc(N)nc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-5-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide?
The InChIKey is ASRAAUFOOWVIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2S.BrH/c1-10-2-4-12(5-3-10)15-14(19-16(18)20-15)11-6-8-13(17)9-7-11;/h2-9H,1H3,(H2,18,19);1H.
What are the key properties of 4-(4-chlorophenyl)-5-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide?
4-(4-chlorophenyl)-5-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide has a molecular weight of 381.73 g/mol, XLogP of 5.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide is sourced from PubChem (CID 2806464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).