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

C17H26N4OS2 — CID 45176633

IUPACazocan-1-yl-[5-[(2-methylsulfanylethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
SMILESCSCCNCc1c(C(=O)N2CCCCCCC2)nc2sccn12
InChIInChI=1S/C17H26N4OS2/c1-23-11-7-18-13-14-15(19-17-21(14)10-12-24-17)16(22)20-8-5-3-2-4-6-9-20/h10,12,18H,2-9,11,13H2,1H3
InChIKeyRPZIREVSLPOKKA-UHFFFAOYSA-N
MW366.56 g/mol
LogP3.25
Rot. Bonds6

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

azocan-1-yl-[5-[(2-methylsulfanylethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone (PubChem CID 45176633) has the molecular formula C17H26N4OS2 and a molecular weight of 366.56 g/mol. Its IUPAC name is azocan-1-yl-[5-[(2-methylsulfanylethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone.

Molecular Properties

Compound Nameazocan-1-yl-[5-[(2-methylsulfanylethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
PubChem CID45176633
Molecular FormulaC17H26N4OS2
Molecular Weight366.56 g/mol
Exact Mass366.15
IUPAC Nameazocan-1-yl-[5-[(2-methylsulfanylethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
SMILESCSCCNCc1c(C(=O)N2CCCCCCC2)nc2sccn12
InChIInChI=1S/C17H26N4OS2/c1-23-11-7-18-13-14-15(19-17-21(14)10-12-24-17)16(22)20-8-5-3-2-4-6-9-20/h10,12,18H,2-9,11,13H2,1H3
InChIKeyRPZIREVSLPOKKA-UHFFFAOYSA-N
XLogP3.25
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.56
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-[5-[(2-methylsulfanylethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
The IUPAC name of azocan-1-yl-[5-[(2-methylsulfanylethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone (CID 45176633) is azocan-1-yl-[5-[(2-methylsulfanylethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone.
What is the SMILES notation for azocan-1-yl-[5-[(2-methylsulfanylethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
The canonical SMILES for azocan-1-yl-[5-[(2-methylsulfanylethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone is CSCCNCc1c(C(=O)N2CCCCCCC2)nc2sccn12.
What is the InChIKey of azocan-1-yl-[5-[(2-methylsulfanylethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
The InChIKey is RPZIREVSLPOKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4OS2/c1-23-11-7-18-13-14-15(19-17-21(14)10-12-24-17)16(22)20-8-5-3-2-4-6-9-20/h10,12,18H,2-9,11,13H2,1H3.
What are the key properties of azocan-1-yl-[5-[(2-methylsulfanylethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
azocan-1-yl-[5-[(2-methylsulfanylethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone has a molecular weight of 366.56 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-[5-[(2-methylsulfanylethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone is sourced from PubChem (CID 45176633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).