3-amino-5-[(3-bromophenyl)methylamino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide

C12H15BrN4O2S2 — CID 103359527

IUPAC3-amino-5-[(3-bromophenyl)methylamino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
SMILESCN(C)S(=O)(=O)c1c(N)nsc1NCc1cccc(Br)c1
InChIInChI=1S/C12H15BrN4O2S2/c1-17(2)21(18,19)10-11(14)16-20-12(10)15-7-8-4-3-5-9(13)6-8/h3-6,15H,7H2,1-2H3,(H2,14,16)
InChIKeyGRTNAGJZZABZLW-UHFFFAOYSA-N
MW391.32 g/mol
LogP2.35
Rot. Bonds5

About 3-amino-5-[(3-bromophenyl)methylamino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide

3-amino-5-[(3-bromophenyl)methylamino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide (PubChem CID 103359527) has the molecular formula C12H15BrN4O2S2 and a molecular weight of 391.32 g/mol. Its IUPAC name is 3-amino-5-[(3-bromophenyl)methylamino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-5-[(3-bromophenyl)methylamino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
PubChem CID103359527
Molecular FormulaC12H15BrN4O2S2
Molecular Weight391.32 g/mol
Exact Mass389.98
IUPAC Name3-amino-5-[(3-bromophenyl)methylamino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
SMILESCN(C)S(=O)(=O)c1c(N)nsc1NCc1cccc(Br)c1
InChIInChI=1S/C12H15BrN4O2S2/c1-17(2)21(18,19)10-11(14)16-20-12(10)15-7-8-4-3-5-9(13)6-8/h3-6,15H,7H2,1-2H3,(H2,14,16)
InChIKeyGRTNAGJZZABZLW-UHFFFAOYSA-N
XLogP2.35
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.32
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-5-[(3-bromophenyl)methylamino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-bromophenyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 43234682
3-amino-5-[(3-bromophenyl)methylamino]-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103378557
3-amino-5-[2-(dimethylamino)ethylamino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103363380
3-amino-5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 106259011
5-N-[(4-bromothiophen-2-yl)methyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103359632
3-amino-5-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 107855833
3-amino-N,N-dimethyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1,2-thiazole-4-sulfonamide
CID 103365036
5-N-[2-(3-methylphenyl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103379939
3-amino-5-(2-cyclopentyloxyethylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103361701
5-[(3-bromophenyl)methylamino]-1,3,4-thiadiazole-2-sulfonamide
CID 154941608
N-[(3-bromophenyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 113294190
4-ethylsulfonyl-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-diamine
CID 103363537

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(3-bromophenyl)methylamino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
The IUPAC name of 3-amino-5-[(3-bromophenyl)methylamino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide (CID 103359527) is 3-amino-5-[(3-bromophenyl)methylamino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide.
What is the SMILES notation for 3-amino-5-[(3-bromophenyl)methylamino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
The canonical SMILES for 3-amino-5-[(3-bromophenyl)methylamino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide is CN(C)S(=O)(=O)c1c(N)nsc1NCc1cccc(Br)c1.
What is the InChIKey of 3-amino-5-[(3-bromophenyl)methylamino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
The InChIKey is GRTNAGJZZABZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O2S2/c1-17(2)21(18,19)10-11(14)16-20-12(10)15-7-8-4-3-5-9(13)6-8/h3-6,15H,7H2,1-2H3,(H2,14,16).
What are the key properties of 3-amino-5-[(3-bromophenyl)methylamino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
3-amino-5-[(3-bromophenyl)methylamino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide has a molecular weight of 391.32 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(3-bromophenyl)methylamino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide is sourced from PubChem (CID 103359527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).