azocan-1-yl-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone

C21H26N4OS2 — CID 25274060

IUPACazocan-1-yl-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone
SMILESO=C(c1nc2sccn2c1CN1CCc2sccc2C1)N1CCCCCCC1
InChIInChI=1S/C21H26N4OS2/c26-20(24-8-4-2-1-3-5-9-24)19-17(25-11-13-28-21(25)22-19)15-23-10-6-18-16(14-23)7-12-27-18/h7,11-13H,1-6,8-10,14-15H2
InChIKeyLPSHLLONEYDVDH-UHFFFAOYSA-N
MW414.60 g/mol
LogP4.42
Rot. Bonds3

About azocan-1-yl-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone

azocan-1-yl-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone (PubChem CID 25274060) has the molecular formula C21H26N4OS2 and a molecular weight of 414.60 g/mol. Its IUPAC name is azocan-1-yl-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone.

Molecular Properties

Compound Nameazocan-1-yl-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone
PubChem CID25274060
Molecular FormulaC21H26N4OS2
Molecular Weight414.60 g/mol
Exact Mass414.15
IUPAC Nameazocan-1-yl-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone
SMILESO=C(c1nc2sccn2c1CN1CCc2sccc2C1)N1CCCCCCC1
InChIInChI=1S/C21H26N4OS2/c26-20(24-8-4-2-1-3-5-9-24)19-17(25-11-13-28-21(25)22-19)15-23-10-6-18-16(14-23)7-12-27-18/h7,11-13H,1-6,8-10,14-15H2
InChIKeyLPSHLLONEYDVDH-UHFFFAOYSA-N
XLogP4.42
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.60
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze azocan-1-yl-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone with MolForge

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Related Compounds

piperidin-1-yl-[5-(thiomorpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone
CID 31005446
azocan-1-yl-[5-[[(3S)-3-hydroxypiperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
CID 42291044
7-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 18137944
[5-[[3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone
CID 45178972
[5-[(3-hydroxypiperidin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone
CID 56878530
[5-[[(3R)-4-methyl-3-phenylpiperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone
CID 124758325
[5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone
CID 45182768
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
pyrrolidin-1-yl-[5-[[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
CID 31054593
azocan-1-yl-[5-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
CID 30852089
piperidin-1-yl-[5-[(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
CID 45232540
azocan-1-yl-[5-[(2-methylsulfanylethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
CID 45176633

Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
The IUPAC name of azocan-1-yl-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone (CID 25274060) is azocan-1-yl-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone.
What is the SMILES notation for azocan-1-yl-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
The canonical SMILES for azocan-1-yl-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone is O=C(c1nc2sccn2c1CN1CCc2sccc2C1)N1CCCCCCC1.
What is the InChIKey of azocan-1-yl-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
The InChIKey is LPSHLLONEYDVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4OS2/c26-20(24-8-4-2-1-3-5-9-24)19-17(25-11-13-28-21(25)22-19)15-23-10-6-18-16(14-23)7-12-27-18/h7,11-13H,1-6,8-10,14-15H2.
What are the key properties of azocan-1-yl-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
azocan-1-yl-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone has a molecular weight of 414.60 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone is sourced from PubChem (CID 25274060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).