6-(ethylamino)-N-(3-methylcyclopentyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C13H20N4O2S2 — CID 114540075

IUPAC6-(ethylamino)-N-(3-methylcyclopentyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCCNc1nc2sccn2c1S(=O)(=O)NC1CCC(C)C1
InChIInChI=1S/C13H20N4O2S2/c1-3-14-11-12(17-6-7-20-13(17)15-11)21(18,19)16-10-5-4-9(2)8-10/h6-7,9-10,14,16H,3-5,8H2,1-2H3
InChIKeyWISQQBMWQXQWRN-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.29
Rot. Bonds5

About 6-(ethylamino)-N-(3-methylcyclopentyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-(ethylamino)-N-(3-methylcyclopentyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 114540075) has the molecular formula C13H20N4O2S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 6-(ethylamino)-N-(3-methylcyclopentyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-(ethylamino)-N-(3-methylcyclopentyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID114540075
Molecular FormulaC13H20N4O2S2
Molecular Weight328.46 g/mol
Exact Mass328.10
IUPAC Name6-(ethylamino)-N-(3-methylcyclopentyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCCNc1nc2sccn2c1S(=O)(=O)NC1CCC(C)C1
InChIInChI=1S/C13H20N4O2S2/c1-3-14-11-12(17-6-7-20-13(17)15-11)21(18,19)16-10-5-4-9(2)8-10/h6-7,9-10,14,16H,3-5,8H2,1-2H3
InChIKeyWISQQBMWQXQWRN-UHFFFAOYSA-N
XLogP2.29
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-N-(4-methylcyclohexyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62149971
6-(ethylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62145089
N-cyclobutyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62415032
6-chloro-N-(3,4-dimethylcyclohexyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 64743097
N-(2,2-difluoroethyl)-6-(ethylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 115408553
N-ethyl-6-(ethylamino)-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 55043775
6-(ethylamino)-N-methyl-N-(3-methylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62146640
6-(ethylamino)-N-(2-methyl-3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 63962286
N-ethyl-6-(ethylamino)-N-(2-hydroxyethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62146362
N-(cyclopropylmethyl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62146023
N-propyl-5-thiomorpholin-4-ylsulfonylimidazo[2,1-b][1,3]thiazol-6-amine
CID 62144057
2-(methylamino)-N-(3-methylcyclopentyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 114540148

Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-N-(3-methylcyclopentyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-(ethylamino)-N-(3-methylcyclopentyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 114540075) is 6-(ethylamino)-N-(3-methylcyclopentyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-(ethylamino)-N-(3-methylcyclopentyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-(ethylamino)-N-(3-methylcyclopentyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CCNc1nc2sccn2c1S(=O)(=O)NC1CCC(C)C1.
What is the InChIKey of 6-(ethylamino)-N-(3-methylcyclopentyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is WISQQBMWQXQWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S2/c1-3-14-11-12(17-6-7-20-13(17)15-11)21(18,19)16-10-5-4-9(2)8-10/h6-7,9-10,14,16H,3-5,8H2,1-2H3.
What are the key properties of 6-(ethylamino)-N-(3-methylcyclopentyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-(ethylamino)-N-(3-methylcyclopentyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 328.46 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-N-(3-methylcyclopentyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 114540075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).