N-(3,4-dimethylphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide

C21H24BrN3O3S2 — CID 2837328

IUPACN-(3,4-dimethylphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide
SMILESBr.Cc1ccc(Nc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cs2)cc1C
InChIInChI=1S/C21H23N3O3S2.BrH/c1-15-3-6-18(13-16(15)2)22-21-23-20(14-28-21)17-4-7-19(8-5-17)29(25,26)24-9-11-27-12-10-24;/h3-8,13-14H,9-12H2,1-2H3,(H,22,23);1H
InChIKeySZKUASOPHOSRAX-UHFFFAOYSA-N
MW510.48 g/mol
LogP4.77
Rot. Bonds5

About N-(3,4-dimethylphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide

N-(3,4-dimethylphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide (PubChem CID 2837328) has the molecular formula C21H24BrN3O3S2 and a molecular weight of 510.48 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide
PubChem CID2837328
Molecular FormulaC21H24BrN3O3S2
Molecular Weight510.48 g/mol
Exact Mass509.04
IUPAC NameN-(3,4-dimethylphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide
SMILESBr.Cc1ccc(Nc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cs2)cc1C
InChIInChI=1S/C21H23N3O3S2.BrH/c1-15-3-6-18(13-16(15)2)22-21-23-20(14-28-21)17-4-7-19(8-5-17)29(25,26)24-9-11-27-12-10-24;/h3-8,13-14H,9-12H2,1-2H3,(H,22,23);1H
InChIKeySZKUASOPHOSRAX-UHFFFAOYSA-N
XLogP4.77
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.48
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-bromophenyl)-4-[4-[3-[[2-methyl-4-[[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]pyrrolidin-1-yl]sulfonylphenyl]-1,3-thiazol-2-amine
CID 144915911
N-(2,5-dimethoxyphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2854838
N-(3,4-dichlorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2852816
N-(3,5-dimethylphenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 17389324
N-(3,5-dimethylphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 1118677
1-[[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]amino]ethanol
CID 123786548
N,4-bis(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2858486
1-(3-fluoro-4-methylphenyl)-2-[[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]amino]ethanone
CID 110830453
N-(3,4-dimethylphenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
CID 59626916
N-(2-methylphenyl)-4-(3-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 17012719
N-(3,5-dichlorophenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 163342619
N-(3-chloro-4-methylphenyl)-4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2859307

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide (CID 2837328) is N-(3,4-dimethylphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide is Br.Cc1ccc(Nc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cs2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide?
The InChIKey is SZKUASOPHOSRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S2.BrH/c1-15-3-6-18(13-16(15)2)22-21-23-20(14-28-21)17-4-7-19(8-5-17)29(25,26)24-9-11-27-12-10-24;/h3-8,13-14H,9-12H2,1-2H3,(H,22,23);1H.
What are the key properties of N-(3,4-dimethylphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide?
N-(3,4-dimethylphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide has a molecular weight of 510.48 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide is sourced from PubChem (CID 2837328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).