5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine

C12H18N4O2S2 — CID 79180679

IUPAC5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCNc1nc2sccn2c1S(=O)(=O)N1CC(C)C(C)C1
InChIInChI=1S/C12H18N4O2S2/c1-8-6-15(7-9(8)2)20(17,18)11-10(13-3)14-12-16(11)4-5-19-12/h4-5,8-9,13H,6-7H2,1-3H3
InChIKeyFPXPSFOLIFLQPV-UHFFFAOYSA-N
MW314.44 g/mol
LogP1.71
Rot. Bonds3

About 5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine

5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 79180679) has the molecular formula C12H18N4O2S2 and a molecular weight of 314.44 g/mol. Its IUPAC name is 5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound Name5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID79180679
Molecular FormulaC12H18N4O2S2
Molecular Weight314.44 g/mol
Exact Mass314.09
IUPAC Name5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCNc1nc2sccn2c1S(=O)(=O)N1CC(C)C(C)C1
InChIInChI=1S/C12H18N4O2S2/c1-8-6-15(7-9(8)2)20(17,18)11-10(13-3)14-12-16(11)4-5-19-12/h4-5,8-9,13H,6-7H2,1-3H3
InChIKeyFPXPSFOLIFLQPV-UHFFFAOYSA-N
XLogP1.71
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of 5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine (CID 79180679) is 5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for 5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for 5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine is CNc1nc2sccn2c1S(=O)(=O)N1CC(C)C(C)C1.
What is the InChIKey of 5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is FPXPSFOLIFLQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S2/c1-8-6-15(7-9(8)2)20(17,18)11-10(13-3)14-12-16(11)4-5-19-12/h4-5,8-9,13H,6-7H2,1-3H3.
What are the key properties of 5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine?
5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 314.44 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 79180679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).