N-ethyl-5-(3-methylpyrrolidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-amine

C12H18N4O2S2 — CID 62147094

IUPACN-ethyl-5-(3-methylpyrrolidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCCNc1nc2sccn2c1S(=O)(=O)N1CCC(C)C1
InChIInChI=1S/C12H18N4O2S2/c1-3-13-10-11(16-6-7-19-12(16)14-10)20(17,18)15-5-4-9(2)8-15/h6-7,9,13H,3-5,8H2,1-2H3
InChIKeyHCOZCOYMBZMECZ-UHFFFAOYSA-N
MW314.44 g/mol
LogP1.86
Rot. Bonds4

About N-ethyl-5-(3-methylpyrrolidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-amine

N-ethyl-5-(3-methylpyrrolidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 62147094) has the molecular formula C12H18N4O2S2 and a molecular weight of 314.44 g/mol. Its IUPAC name is N-ethyl-5-(3-methylpyrrolidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound NameN-ethyl-5-(3-methylpyrrolidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID62147094
Molecular FormulaC12H18N4O2S2
Molecular Weight314.44 g/mol
Exact Mass314.09
IUPAC NameN-ethyl-5-(3-methylpyrrolidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCCNc1nc2sccn2c1S(=O)(=O)N1CCC(C)C1
InChIInChI=1S/C12H18N4O2S2/c1-3-13-10-11(16-6-7-19-12(16)14-10)20(17,18)15-5-4-9(2)8-15/h6-7,9,13H,3-5,8H2,1-2H3
InChIKeyHCOZCOYMBZMECZ-UHFFFAOYSA-N
XLogP1.86
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(4-ethylpiperidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-yl]hydrazine
CID 61421703
6-(ethylamino)-N-(3-methylcyclopentyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 114540075
6-(ethylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62145089
[1-(6-hydrazinylimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolidin-3-yl]methanol
CID 115965507
5-(3-methoxypyrrolidin-1-yl)sulfonyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 103538307
N-propyl-5-thiomorpholin-4-ylsulfonylimidazo[2,1-b][1,3]thiazol-6-amine
CID 62144057
5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 79180679
N-ethyl-6-(ethylamino)-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 55043775
[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylimidazo[2,1-b][1,3]thiazol-6-yl]hydrazine
CID 104959246
N-ethyl-6-(ethylamino)-N-(2-hydroxyethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62146362
N-(2,2-difluoroethyl)-6-(ethylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 115408553
[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)imidazo[2,1-b][1,3]thiazol-6-yl]hydrazine
CID 66370094

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(3-methylpyrrolidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of N-ethyl-5-(3-methylpyrrolidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-amine (CID 62147094) is N-ethyl-5-(3-methylpyrrolidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for N-ethyl-5-(3-methylpyrrolidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for N-ethyl-5-(3-methylpyrrolidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-amine is CCNc1nc2sccn2c1S(=O)(=O)N1CCC(C)C1.
What is the InChIKey of N-ethyl-5-(3-methylpyrrolidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is HCOZCOYMBZMECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S2/c1-3-13-10-11(16-6-7-19-12(16)14-10)20(17,18)15-5-4-9(2)8-15/h6-7,9,13H,3-5,8H2,1-2H3.
What are the key properties of N-ethyl-5-(3-methylpyrrolidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-amine?
N-ethyl-5-(3-methylpyrrolidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 314.44 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(3-methylpyrrolidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 62147094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).