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

C20H27N5O2S — CID 29084692

IUPACazocan-1-yl-[5-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
SMILESCc1cc(CN(C)Cc2c(C(=O)N3CCCCCCC3)nc3sccn23)on1
InChIInChI=1S/C20H27N5O2S/c1-15-12-16(27-22-15)13-23(2)14-17-18(21-20-25(17)10-11-28-20)19(26)24-8-6-4-3-5-7-9-24/h10-12H,3-9,13-14H2,1-2H3
InChIKeyQQZOMVAOVYZNIV-UHFFFAOYSA-N
MW401.54 g/mol
LogP3.73
Rot. Bonds5

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

azocan-1-yl-[5-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone (PubChem CID 29084692) has the molecular formula C20H27N5O2S and a molecular weight of 401.54 g/mol. Its IUPAC name is azocan-1-yl-[5-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone.

Molecular Properties

Compound Nameazocan-1-yl-[5-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
PubChem CID29084692
Molecular FormulaC20H27N5O2S
Molecular Weight401.54 g/mol
Exact Mass401.19
IUPAC Nameazocan-1-yl-[5-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
SMILESCc1cc(CN(C)Cc2c(C(=O)N3CCCCCCC3)nc3sccn23)on1
InChIInChI=1S/C20H27N5O2S/c1-15-12-16(27-22-15)13-23(2)14-17-18(21-20-25(17)10-11-28-20)19(26)24-8-6-4-3-5-7-9-24/h10-12H,3-9,13-14H2,1-2H3
InChIKeyQQZOMVAOVYZNIV-UHFFFAOYSA-N
XLogP3.73
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.54
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-[5-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
The IUPAC name of azocan-1-yl-[5-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone (CID 29084692) is azocan-1-yl-[5-[[methyl-[(3-methyl-1,2-oxazol-5-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-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
The canonical SMILES for azocan-1-yl-[5-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone is Cc1cc(CN(C)Cc2c(C(=O)N3CCCCCCC3)nc3sccn23)on1.
What is the InChIKey of azocan-1-yl-[5-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
The InChIKey is QQZOMVAOVYZNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2S/c1-15-12-16(27-22-15)13-23(2)14-17-18(21-20-25(17)10-11-28-20)19(26)24-8-6-4-3-5-7-9-24/h10-12H,3-9,13-14H2,1-2H3.
What are the key properties of azocan-1-yl-[5-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
azocan-1-yl-[5-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone has a molecular weight of 401.54 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-[5-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone is sourced from PubChem (CID 29084692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).