N-(4-bromophenyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine

C18H17BrN2S — CID 126054464

IUPACN-(4-bromophenyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
SMILESCc1ccc(-c2nc(Nc3ccc(Br)cc3)sc2C)cc1C
InChIInChI=1S/C18H17BrN2S/c1-11-4-5-14(10-12(11)2)17-13(3)22-18(21-17)20-16-8-6-15(19)7-9-16/h4-10H,1-3H3,(H,20,21)
InChIKeyQRIKUNJTYBBPKI-UHFFFAOYSA-N
MW373.32 g/mol
LogP6.24
Rot. Bonds3

About N-(4-bromophenyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine

N-(4-bromophenyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine (PubChem CID 126054464) has the molecular formula C18H17BrN2S and a molecular weight of 373.32 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
PubChem CID126054464
Molecular FormulaC18H17BrN2S
Molecular Weight373.32 g/mol
Exact Mass372.03
IUPAC NameN-(4-bromophenyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
SMILESCc1ccc(-c2nc(Nc3ccc(Br)cc3)sc2C)cc1C
InChIInChI=1S/C18H17BrN2S/c1-11-4-5-14(10-12(11)2)17-13(3)22-18(21-17)20-16-8-6-15(19)7-9-16/h4-10H,1-3H3,(H,20,21)
InChIKeyQRIKUNJTYBBPKI-UHFFFAOYSA-N
XLogP6.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.32
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 53387372
4-[[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]benzoic acid
CID 780810
N-(3,5-dichlorophenyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 126055578
methyl 4-[[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]benzoate
CID 1111716
4-(3,4-dimethylphenyl)-5-methyl-N-(2-methylphenyl)-1,3-thiazol-2-amine
CID 126052604
4-(3,4-dimethylphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 126060767
4-(3,4-dichlorophenyl)-5-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 126050050
N-(2,4-dichlorophenyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 126048866
4-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 23882311
4-methyl-1-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzene-1,3-diamine
CID 82059125
4-[(5-methyl-4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]benzenesulfonic acid
CID 21058801
1-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-phenylurea
CID 58465398

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(4-bromophenyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine (CID 126054464) is N-(4-bromophenyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-bromophenyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-bromophenyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine is Cc1ccc(-c2nc(Nc3ccc(Br)cc3)sc2C)cc1C.
What is the InChIKey of N-(4-bromophenyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine?
The InChIKey is QRIKUNJTYBBPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2S/c1-11-4-5-14(10-12(11)2)17-13(3)22-18(21-17)20-16-8-6-15(19)7-9-16/h4-10H,1-3H3,(H,20,21).
What are the key properties of N-(4-bromophenyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine?
N-(4-bromophenyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine has a molecular weight of 373.32 g/mol, XLogP of 6.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 126054464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).