azocan-1-yl-[5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone

C22H32N6OS — CID 25287052

IUPACazocan-1-yl-[5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
SMILESCc1n[nH]c(C)c1CCN(C)Cc1c(C(=O)N2CCCCCCC2)nc2sccn12
InChIInChI=1S/C22H32N6OS/c1-16-18(17(2)25-24-16)9-12-26(3)15-19-20(23-22-28(19)13-14-30-22)21(29)27-10-7-5-4-6-8-11-27/h13-14H,4-12,15H2,1-3H3,(H,24,25)
InChIKeySOVVLENMUJOYDE-UHFFFAOYSA-N
MW428.61 g/mol
LogP3.82
Rot. Bonds6

About azocan-1-yl-[5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone

azocan-1-yl-[5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone (PubChem CID 25287052) has the molecular formula C22H32N6OS and a molecular weight of 428.61 g/mol. Its IUPAC name is azocan-1-yl-[5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone.

Molecular Properties

Compound Nameazocan-1-yl-[5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
PubChem CID25287052
Molecular FormulaC22H32N6OS
Molecular Weight428.61 g/mol
Exact Mass428.24
IUPAC Nameazocan-1-yl-[5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
SMILESCc1n[nH]c(C)c1CCN(C)Cc1c(C(=O)N2CCCCCCC2)nc2sccn12
InChIInChI=1S/C22H32N6OS/c1-16-18(17(2)25-24-16)9-12-26(3)15-19-20(23-22-28(19)13-14-30-22)21(29)27-10-7-5-4-6-8-11-27/h13-14H,4-12,15H2,1-3H3,(H,24,25)
InChIKeySOVVLENMUJOYDE-UHFFFAOYSA-N
XLogP3.82
TPSA69.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.61
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-[5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
The IUPAC name of azocan-1-yl-[5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone (CID 25287052) is azocan-1-yl-[5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone.
What is the SMILES notation for azocan-1-yl-[5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
The canonical SMILES for azocan-1-yl-[5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone is Cc1n[nH]c(C)c1CCN(C)Cc1c(C(=O)N2CCCCCCC2)nc2sccn12.
What is the InChIKey of azocan-1-yl-[5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
The InChIKey is SOVVLENMUJOYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6OS/c1-16-18(17(2)25-24-16)9-12-26(3)15-19-20(23-22-28(19)13-14-30-22)21(29)27-10-7-5-4-6-8-11-27/h13-14H,4-12,15H2,1-3H3,(H,24,25).
What are the key properties of azocan-1-yl-[5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
azocan-1-yl-[5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone has a molecular weight of 428.61 g/mol, XLogP of 3.82, 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-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone is sourced from PubChem (CID 25287052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).