N-(2,5-dimethoxyphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide

C21H24BrN3O5S2 — CID 2854838

IUPACN-(2,5-dimethoxyphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide
SMILESBr.COc1ccc(OC)c(Nc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cs2)c1
InChIInChI=1S/C21H23N3O5S2.BrH/c1-27-16-5-8-20(28-2)18(13-16)22-21-23-19(14-30-21)15-3-6-17(7-4-15)31(25,26)24-9-11-29-12-10-24;/h3-8,13-14H,9-12H2,1-2H3,(H,22,23);1H
InChIKeyBUGBJOZXUZLUSB-UHFFFAOYSA-N
MW542.48 g/mol
LogP4.17
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide

N-(2,5-dimethoxyphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide (PubChem CID 2854838) has the molecular formula C21H24BrN3O5S2 and a molecular weight of 542.48 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide
PubChem CID2854838
Molecular FormulaC21H24BrN3O5S2
Molecular Weight542.48 g/mol
Exact Mass541.03
IUPAC NameN-(2,5-dimethoxyphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide
SMILESBr.COc1ccc(OC)c(Nc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cs2)c1
InChIInChI=1S/C21H23N3O5S2.BrH/c1-27-16-5-8-20(28-2)18(13-16)22-21-23-19(14-30-21)15-3-6-17(7-4-15)31(25,26)24-9-11-29-12-10-24;/h3-8,13-14H,9-12H2,1-2H3,(H,22,23);1H
InChIKeyBUGBJOZXUZLUSB-UHFFFAOYSA-N
XLogP4.17
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.48
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(2,5-dimethoxyphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide with MolForge

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Related Compounds

2-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-morpholin-4-ylsulfonylbenzamide
CID 27845372
N-(3,4-dimethylphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2837328
1-[[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]amino]ethanol
CID 123786548
1-(4-methoxyphenyl)-2-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]ethanone
CID 158335726
N-(2-methylphenyl)-4-(3-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 17012719
4-(3-bromophenyl)-N-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 53338354
N-(3,5-dimethylphenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 17389324
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 58496045
N-(5-fluoro-2-methoxyphenyl)-4-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid
CID 160629065
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 6276598
4-heptoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4500684
N-(3,5-dimethylphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 1118677

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide (CID 2854838) is N-(2,5-dimethoxyphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide is Br.COc1ccc(OC)c(Nc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cs2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide?
The InChIKey is BUGBJOZXUZLUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S2.BrH/c1-27-16-5-8-20(28-2)18(13-16)22-21-23-19(14-30-21)15-3-6-17(7-4-15)31(25,26)24-9-11-29-12-10-24;/h3-8,13-14H,9-12H2,1-2H3,(H,22,23);1H.
What are the key properties of N-(2,5-dimethoxyphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide?
N-(2,5-dimethoxyphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide has a molecular weight of 542.48 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide is sourced from PubChem (CID 2854838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).