[5-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone

C20H27N7OS — CID 28953257

IUPAC[5-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone
SMILESCn1ccnc1CN1CCN(Cc2c(C(=O)N3CCCC3)nc3sccn23)CC1
InChIInChI=1S/C20H27N7OS/c1-23-7-4-21-17(23)15-25-10-8-24(9-11-25)14-16-18(19(28)26-5-2-3-6-26)22-20-27(16)12-13-29-20/h4,7,12-13H,2-3,5-6,8-11,14-15H2,1H3
InChIKeyITOMZIBMEHBWFL-UHFFFAOYSA-N
MW413.55 g/mol
LogP1.68
Rot. Bonds5

About [5-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone

[5-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone (PubChem CID 28953257) has the molecular formula C20H27N7OS and a molecular weight of 413.55 g/mol. Its IUPAC name is [5-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone
PubChem CID28953257
Molecular FormulaC20H27N7OS
Molecular Weight413.55 g/mol
Exact Mass413.20
IUPAC Name[5-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone
SMILESCn1ccnc1CN1CCN(Cc2c(C(=O)N3CCCC3)nc3sccn23)CC1
InChIInChI=1S/C20H27N7OS/c1-23-7-4-21-17(23)15-25-10-8-24(9-11-25)14-16-18(19(28)26-5-2-3-6-26)22-20-27(16)12-13-29-20/h4,7,12-13H,2-3,5-6,8-11,14-15H2,1H3
InChIKeyITOMZIBMEHBWFL-UHFFFAOYSA-N
XLogP1.68
TPSA61.91 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.55
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [5-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone (CID 28953257) is [5-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone is Cn1ccnc1CN1CCN(Cc2c(C(=O)N3CCCC3)nc3sccn23)CC1.
What is the InChIKey of [5-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is ITOMZIBMEHBWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7OS/c1-23-7-4-21-17(23)15-25-10-8-24(9-11-25)14-16-18(19(28)26-5-2-3-6-26)22-20-27(16)12-13-29-20/h4,7,12-13H,2-3,5-6,8-11,14-15H2,1H3.
What are the key properties of [5-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone?
[5-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 413.55 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 28953257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).