azocan-1-yl-[5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone

C22H29N5OS2 — CID 45203962

IUPACazocan-1-yl-[5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
SMILESO=C(c1nc2sccn2c1CN1CCCCC1c1nccs1)N1CCCCCCC1
InChIInChI=1S/C22H29N5OS2/c28-21(25-10-5-2-1-3-6-11-25)19-18(27-13-15-30-22(27)24-19)16-26-12-7-4-8-17(26)20-23-9-14-29-20/h9,13-15,17H,1-8,10-12,16H2
InChIKeySZWWIEONGAJXSU-UHFFFAOYSA-N
MW443.64 g/mol
LogP4.99
Rot. Bonds4

About azocan-1-yl-[5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone

azocan-1-yl-[5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone (PubChem CID 45203962) has the molecular formula C22H29N5OS2 and a molecular weight of 443.64 g/mol. Its IUPAC name is azocan-1-yl-[5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone.

Molecular Properties

Compound Nameazocan-1-yl-[5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
PubChem CID45203962
Molecular FormulaC22H29N5OS2
Molecular Weight443.64 g/mol
Exact Mass443.18
IUPAC Nameazocan-1-yl-[5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
SMILESO=C(c1nc2sccn2c1CN1CCCCC1c1nccs1)N1CCCCCCC1
InChIInChI=1S/C22H29N5OS2/c28-21(25-10-5-2-1-3-6-11-25)19-18(27-13-15-30-22(27)24-19)16-26-12-7-4-8-17(26)20-23-9-14-29-20/h9,13-15,17H,1-8,10-12,16H2
InChIKeySZWWIEONGAJXSU-UHFFFAOYSA-N
XLogP4.99
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.64
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze azocan-1-yl-[5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-[5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
The IUPAC name of azocan-1-yl-[5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone (CID 45203962) is azocan-1-yl-[5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone.
What is the SMILES notation for azocan-1-yl-[5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
The canonical SMILES for azocan-1-yl-[5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone is O=C(c1nc2sccn2c1CN1CCCCC1c1nccs1)N1CCCCCCC1.
What is the InChIKey of azocan-1-yl-[5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
The InChIKey is SZWWIEONGAJXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5OS2/c28-21(25-10-5-2-1-3-6-11-25)19-18(27-13-15-30-22(27)24-19)16-26-12-7-4-8-17(26)20-23-9-14-29-20/h9,13-15,17H,1-8,10-12,16H2.
What are the key properties of azocan-1-yl-[5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
azocan-1-yl-[5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone has a molecular weight of 443.64 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-[5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone is sourced from PubChem (CID 45203962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).