2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide

C10H12BrN3O2S3 — CID 106049249

IUPAC2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NCCc1ccc(Br)s1
InChIInChI=1S/C10H12BrN3O2S3/c1-6-9(18-10(12)14-6)19(15,16)13-5-4-7-2-3-8(11)17-7/h2-3,13H,4-5H2,1H3,(H2,12,14)
InChIKeyIPOKKEWJSLFTKC-UHFFFAOYSA-N
MW382.33 g/mol
LogP2.38
Rot. Bonds5

About 2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide

2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 106049249) has the molecular formula C10H12BrN3O2S3 and a molecular weight of 382.33 g/mol. Its IUPAC name is 2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID106049249
Molecular FormulaC10H12BrN3O2S3
Molecular Weight382.33 g/mol
Exact Mass380.93
IUPAC Name2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NCCc1ccc(Br)s1
InChIInChI=1S/C10H12BrN3O2S3/c1-6-9(18-10(12)14-6)19(15,16)13-5-4-7-2-3-8(11)17-7/h2-3,13H,4-5H2,1H3,(H2,12,14)
InChIKeyIPOKKEWJSLFTKC-UHFFFAOYSA-N
XLogP2.38
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 106035146
5-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 103606955
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5-fluoro-4-methylbenzenesulfonamide
CID 106035121
2-amino-4-methyl-N-(4-methylpentyl)-1,3-thiazole-5-sulfonamide
CID 63944837
1-(4-aminophenyl)-N-[2-(5-bromothiophen-2-yl)ethyl]methanesulfonamide
CID 106035136
2-amino-4-methyl-N-pent-3-ynyl-1,3-thiazole-5-sulfonamide
CID 116644653
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]benzenesulfonamide
CID 104868385
5-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2-ethylbenzenesulfonamide
CID 106035162
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfonylamino]ethyl acetate
CID 174649390
N-[2-(5-bromothiophen-2-yl)ethyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 106049811
6-amino-N-[2-(5-bromothiophen-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 106049807
2-amino-4-methyl-N-(5,5,5-trifluoropentyl)-1,3-thiazole-5-sulfonamide
CID 115520750

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide (CID 106049249) is 2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide is Cc1nc(N)sc1S(=O)(=O)NCCc1ccc(Br)s1.
What is the InChIKey of 2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is IPOKKEWJSLFTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O2S3/c1-6-9(18-10(12)14-6)19(15,16)13-5-4-7-2-3-8(11)17-7/h2-3,13H,4-5H2,1H3,(H2,12,14).
What are the key properties of 2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide?
2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 382.33 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 106049249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).