1-[4-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methylpyrrolidin-3-yl]piperazin-1-yl]ethanone

C17H25N5OS — CID 71927812

IUPAC1-[4-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methylpyrrolidin-3-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C2CN(Cc3cn4ccsc4n3)CC2C)CC1
InChIInChI=1S/C17H25N5OS/c1-13-9-19(10-15-11-22-7-8-24-17(22)18-15)12-16(13)21-5-3-20(4-6-21)14(2)23/h7-8,11,13,16H,3-6,9-10,12H2,1-2H3
InChIKeyDIRUAYHADYOTFJ-UHFFFAOYSA-N
MW347.49 g/mol
LogP1.38
Rot. Bonds3

About 1-[4-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methylpyrrolidin-3-yl]piperazin-1-yl]ethanone

1-[4-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methylpyrrolidin-3-yl]piperazin-1-yl]ethanone (PubChem CID 71927812) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is 1-[4-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methylpyrrolidin-3-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methylpyrrolidin-3-yl]piperazin-1-yl]ethanone
PubChem CID71927812
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC Name1-[4-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methylpyrrolidin-3-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C2CN(Cc3cn4ccsc4n3)CC2C)CC1
InChIInChI=1S/C17H25N5OS/c1-13-9-19(10-15-11-22-7-8-24-17(22)18-15)12-16(13)21-5-3-20(4-6-21)14(2)23/h7-8,11,13,16H,3-6,9-10,12H2,1-2H3
InChIKeyDIRUAYHADYOTFJ-UHFFFAOYSA-N
XLogP1.38
TPSA44.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methylpyrrolidin-3-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methylpyrrolidin-3-yl]piperazin-1-yl]ethanone (CID 71927812) is 1-[4-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methylpyrrolidin-3-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methylpyrrolidin-3-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methylpyrrolidin-3-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C2CN(Cc3cn4ccsc4n3)CC2C)CC1.
What is the InChIKey of 1-[4-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methylpyrrolidin-3-yl]piperazin-1-yl]ethanone?
The InChIKey is DIRUAYHADYOTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-13-9-19(10-15-11-22-7-8-24-17(22)18-15)12-16(13)21-5-3-20(4-6-21)14(2)23/h7-8,11,13,16H,3-6,9-10,12H2,1-2H3.
What are the key properties of 1-[4-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methylpyrrolidin-3-yl]piperazin-1-yl]ethanone?
1-[4-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methylpyrrolidin-3-yl]piperazin-1-yl]ethanone has a molecular weight of 347.49 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methylpyrrolidin-3-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 71927812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).