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

C9H15N5O4S3 — CID 106342310

IUPAC6-amino-N-[2-(ethylsulfamoyl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCCNS(=O)(=O)CCNS(=O)(=O)c1c(N)nc2sccn12
InChIInChI=1S/C9H15N5O4S3/c1-2-11-20(15,16)6-3-12-21(17,18)8-7(10)13-9-14(8)4-5-19-9/h4-5,11-12H,2-3,6,10H2,1H3
InChIKeyMLWFHZGYOBENRR-UHFFFAOYSA-N
MW353.45 g/mol
LogP-0.80
Rot. Bonds7

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

6-amino-N-[2-(ethylsulfamoyl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 106342310) has the molecular formula C9H15N5O4S3 and a molecular weight of 353.45 g/mol. Its IUPAC name is 6-amino-N-[2-(ethylsulfamoyl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-amino-N-[2-(ethylsulfamoyl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID106342310
Molecular FormulaC9H15N5O4S3
Molecular Weight353.45 g/mol
Exact Mass353.03
IUPAC Name6-amino-N-[2-(ethylsulfamoyl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCCNS(=O)(=O)CCNS(=O)(=O)c1c(N)nc2sccn12
InChIInChI=1S/C9H15N5O4S3/c1-2-11-20(15,16)6-3-12-21(17,18)8-7(10)13-9-14(8)4-5-19-9/h4-5,11-12H,2-3,6,10H2,1H3
InChIKeyMLWFHZGYOBENRR-UHFFFAOYSA-N
XLogP-0.80
TPSA135.66 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

6-amino-N-(3,3,3-trifluoropropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 63227518
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CID 62640219
6-amino-N-(2-piperidin-1-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62156779
6-amino-N-(2-ethoxy-2-methylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 114944062
6-amino-N-[2-(5-bromothiophen-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
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2-[(6-aminoimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-N-tert-butylacetamide
CID 115357173
6-amino-N-(1H-imidazol-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
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2-[(6-aminoimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-2-methylpropanamide
CID 62152600
6-hydrazinyl-N-(2-sulfamoylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60812992
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-(4-methylcyclohexyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62149971
2-[(6-aminoimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]propanamide
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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[2-(ethylsulfamoyl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-amino-N-[2-(ethylsulfamoyl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 106342310) is 6-amino-N-[2-(ethylsulfamoyl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-amino-N-[2-(ethylsulfamoyl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-amino-N-[2-(ethylsulfamoyl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CCNS(=O)(=O)CCNS(=O)(=O)c1c(N)nc2sccn12.
What is the InChIKey of 6-amino-N-[2-(ethylsulfamoyl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is MLWFHZGYOBENRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O4S3/c1-2-11-20(15,16)6-3-12-21(17,18)8-7(10)13-9-14(8)4-5-19-9/h4-5,11-12H,2-3,6,10H2,1H3.
What are the key properties of 6-amino-N-[2-(ethylsulfamoyl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-amino-N-[2-(ethylsulfamoyl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 353.45 g/mol, XLogP of -0.80, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[2-(ethylsulfamoyl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 106342310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).