N-(3-bromophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine

C16H13BrN2O2S2 — CID 24505641

IUPACN-(3-bromophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine
SMILESCS(=O)(=O)c1ccc(-c2csc(Nc3cccc(Br)c3)n2)cc1
InChIInChI=1S/C16H13BrN2O2S2/c1-23(20,21)14-7-5-11(6-8-14)15-10-22-16(19-15)18-13-4-2-3-12(17)9-13/h2-10H,1H3,(H,18,19)
InChIKeyZVBMOINCIRTTKM-UHFFFAOYSA-N
MW409.33 g/mol
LogP4.72
Rot. Bonds4

About N-(3-bromophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine

N-(3-bromophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine (PubChem CID 24505641) has the molecular formula C16H13BrN2O2S2 and a molecular weight of 409.33 g/mol. Its IUPAC name is N-(3-bromophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine
PubChem CID24505641
Molecular FormulaC16H13BrN2O2S2
Molecular Weight409.33 g/mol
Exact Mass407.96
IUPAC NameN-(3-bromophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine
SMILESCS(=O)(=O)c1ccc(-c2csc(Nc3cccc(Br)c3)n2)cc1
InChIInChI=1S/C16H13BrN2O2S2/c1-23(20,21)14-7-5-11(6-8-14)15-10-22-16(19-15)18-13-4-2-3-12(17)9-13/h2-10H,1H3,(H,18,19)
InChIKeyZVBMOINCIRTTKM-UHFFFAOYSA-N
XLogP4.72
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.33
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine
CID 17398323
N-[3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84564814
1-[3-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 53338346
4-(4-iodophenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 560642
N-[4-[2-(3-propan-2-ylanilino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 166340287
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 41189986
3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-N-hydroxybenzeneamine oxide
CID 163174069
2-methyl-4-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]benzenesulfonamide
CID 175544584
N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]methanesulfonamide
CID 9330073
4-(3,4-dimethylphenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 873210
[3-[2-(3-bromoanilino)-1,3-thiazol-4-yl]phenyl] benzoate
CID 87950054
N-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 84564808

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(3-bromophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine (CID 24505641) is N-(3-bromophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-bromophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-bromophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine is CS(=O)(=O)c1ccc(-c2csc(Nc3cccc(Br)c3)n2)cc1.
What is the InChIKey of N-(3-bromophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine?
The InChIKey is ZVBMOINCIRTTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2S2/c1-23(20,21)14-7-5-11(6-8-14)15-10-22-16(19-15)18-13-4-2-3-12(17)9-13/h2-10H,1H3,(H,18,19).
What are the key properties of N-(3-bromophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine?
N-(3-bromophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine has a molecular weight of 409.33 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 24505641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).