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

C19H26N6O2S — CID 30852089

IUPACazocan-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
SMILESCc1nonc1CN(C)Cc1c(C(=O)N2CCCCCCC2)nc2sccn12
InChIInChI=1S/C19H26N6O2S/c1-14-15(22-27-21-14)12-23(2)13-16-17(20-19-25(16)10-11-28-19)18(26)24-8-6-4-3-5-7-9-24/h10-11H,3-9,12-13H2,1-2H3
InChIKeyVFADCIUYYXSKKP-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.13
Rot. Bonds5

About 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

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 (PubChem CID 30852089) has the molecular formula C19H26N6O2S and a molecular weight of 402.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameazocan-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
PubChem CID30852089
Molecular FormulaC19H26N6O2S
Molecular Weight402.52 g/mol
Exact Mass402.18
IUPAC Nameazocan-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
SMILESCc1nonc1CN(C)Cc1c(C(=O)N2CCCCCCC2)nc2sccn12
InChIInChI=1S/C19H26N6O2S/c1-14-15(22-27-21-14)12-23(2)13-16-17(20-19-25(16)10-11-28-19)18(26)24-8-6-4-3-5-7-9-24/h10-11H,3-9,12-13H2,1-2H3
InChIKeyVFADCIUYYXSKKP-UHFFFAOYSA-N
XLogP3.13
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nonc1CN(C)Cc1c(C(=O)N2CCCCCCC2)nc2sccn12.
What is the InChIKey of 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?
The InChIKey is VFADCIUYYXSKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2S/c1-14-15(22-27-21-14)12-23(2)13-16-17(20-19-25(16)10-11-28-19)18(26)24-8-6-4-3-5-7-9-24/h10-11H,3-9,12-13H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 402.52 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 30852089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).