6-amino-N-[2-(5-bromothiophen-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C11H11BrN4O2S3 — CID 106049807

IUPAC6-amino-N-[2-(5-bromothiophen-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESNc1nc2sccn2c1S(=O)(=O)NCCc1ccc(Br)s1
InChIInChI=1S/C11H11BrN4O2S3/c12-8-2-1-7(20-8)3-4-14-21(17,18)10-9(13)15-11-16(10)5-6-19-11/h1-2,5-6,14H,3-4,13H2
InChIKeySBLDRYYWQGLXDC-UHFFFAOYSA-N
MW407.34 g/mol
LogP2.32
Rot. Bonds5

About 6-amino-N-[2-(5-bromothiophen-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-amino-N-[2-(5-bromothiophen-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 106049807) has the molecular formula C11H11BrN4O2S3 and a molecular weight of 407.34 g/mol. Its IUPAC name is 6-amino-N-[2-(5-bromothiophen-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-amino-N-[2-(5-bromothiophen-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID106049807
Molecular FormulaC11H11BrN4O2S3
Molecular Weight407.34 g/mol
Exact Mass405.92
IUPAC Name6-amino-N-[2-(5-bromothiophen-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESNc1nc2sccn2c1S(=O)(=O)NCCc1ccc(Br)s1
InChIInChI=1S/C11H11BrN4O2S3/c12-8-2-1-7(20-8)3-4-14-21(17,18)10-9(13)15-11-16(10)5-6-19-11/h1-2,5-6,14H,3-4,13H2
InChIKeySBLDRYYWQGLXDC-UHFFFAOYSA-N
XLogP2.32
TPSA89.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-amino-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 63227518
6-amino-N-(2-pyrrolidin-1-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62640219
6-amino-N-[2-(ethylsulfamoyl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 106342310
6-amino-N-(2-piperidin-1-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62156779
6-amino-N-(2,4-dibromophenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62151548
2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 106049249
2-[(6-aminoimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-N-tert-butylacetamide
CID 115357173
6-amino-N-(2-ethoxy-2-methylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 114944062
6-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 106376743
6-amino-N-(1H-imidazol-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 64524170
6-amino-N-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62144732
6-amino-N-(2-bromo-3-chlorophenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 103481342

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[2-(5-bromothiophen-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-amino-N-[2-(5-bromothiophen-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 106049807) is 6-amino-N-[2-(5-bromothiophen-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-amino-N-[2-(5-bromothiophen-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-amino-N-[2-(5-bromothiophen-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is Nc1nc2sccn2c1S(=O)(=O)NCCc1ccc(Br)s1.
What is the InChIKey of 6-amino-N-[2-(5-bromothiophen-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is SBLDRYYWQGLXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O2S3/c12-8-2-1-7(20-8)3-4-14-21(17,18)10-9(13)15-11-16(10)5-6-19-11/h1-2,5-6,14H,3-4,13H2.
What are the key properties of 6-amino-N-[2-(5-bromothiophen-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-amino-N-[2-(5-bromothiophen-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 407.34 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[2-(5-bromothiophen-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 106049807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).