5-(4-ethyl-3-methylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-amine

C12H19N5O2S2 — CID 63604950

IUPAC5-(4-ethyl-3-methylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCCN1CCN(S(=O)(=O)c2c(N)nc3sccn23)CC1C
InChIInChI=1S/C12H19N5O2S2/c1-3-15-4-5-16(8-9(15)2)21(18,19)11-10(13)14-12-17(11)6-7-20-12/h6-7,9H,3-5,8,13H2,1-2H3
InChIKeyHJNMFZRYGMXEEZ-UHFFFAOYSA-N
MW329.45 g/mol
LogP0.69
Rot. Bonds3

About 5-(4-ethyl-3-methylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-amine

5-(4-ethyl-3-methylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 63604950) has the molecular formula C12H19N5O2S2 and a molecular weight of 329.45 g/mol. Its IUPAC name is 5-(4-ethyl-3-methylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound Name5-(4-ethyl-3-methylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID63604950
Molecular FormulaC12H19N5O2S2
Molecular Weight329.45 g/mol
Exact Mass329.10
IUPAC Name5-(4-ethyl-3-methylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCCN1CCN(S(=O)(=O)c2c(N)nc3sccn23)CC1C
InChIInChI=1S/C12H19N5O2S2/c1-3-15-4-5-16(8-9(15)2)21(18,19)11-10(13)14-12-17(11)6-7-20-12/h6-7,9H,3-5,8,13H2,1-2H3
InChIKeyHJNMFZRYGMXEEZ-UHFFFAOYSA-N
XLogP0.69
TPSA83.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethyl-3-methylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of 5-(4-ethyl-3-methylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-amine (CID 63604950) is 5-(4-ethyl-3-methylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for 5-(4-ethyl-3-methylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for 5-(4-ethyl-3-methylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-amine is CCN1CCN(S(=O)(=O)c2c(N)nc3sccn23)CC1C.
What is the InChIKey of 5-(4-ethyl-3-methylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is HJNMFZRYGMXEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S2/c1-3-15-4-5-16(8-9(15)2)21(18,19)11-10(13)14-12-17(11)6-7-20-12/h6-7,9H,3-5,8,13H2,1-2H3.
What are the key properties of 5-(4-ethyl-3-methylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-amine?
5-(4-ethyl-3-methylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 329.45 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethyl-3-methylpiperazin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 63604950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).