4-methyl-1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]azepan-4-ol

C14H22N4OS — CID 107405457

IUPAC4-methyl-1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]azepan-4-ol
SMILESCNCc1c(N2CCCC(C)(O)CC2)nc2sccn12
InChIInChI=1S/C14H22N4OS/c1-14(19)4-3-6-17(7-5-14)12-11(10-15-2)18-8-9-20-13(18)16-12/h8-9,15,19H,3-7,10H2,1-2H3
InChIKeyQMJUWWLRQSRLKD-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.86
Rot. Bonds3

About 4-methyl-1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]azepan-4-ol

4-methyl-1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]azepan-4-ol (PubChem CID 107405457) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 4-methyl-1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]azepan-4-ol.

Molecular Properties

Compound Name4-methyl-1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]azepan-4-ol
PubChem CID107405457
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name4-methyl-1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]azepan-4-ol
SMILESCNCc1c(N2CCCC(C)(O)CC2)nc2sccn12
InChIInChI=1S/C14H22N4OS/c1-14(19)4-3-6-17(7-5-14)12-11(10-15-2)18-8-9-20-13(18)16-12/h8-9,15,19H,3-7,10H2,1-2H3
InChIKeyQMJUWWLRQSRLKD-UHFFFAOYSA-N
XLogP1.86
TPSA52.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]azepan-4-ol?
The IUPAC name of 4-methyl-1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]azepan-4-ol (CID 107405457) is 4-methyl-1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]azepan-4-ol.
What is the SMILES notation for 4-methyl-1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]azepan-4-ol?
The canonical SMILES for 4-methyl-1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]azepan-4-ol is CNCc1c(N2CCCC(C)(O)CC2)nc2sccn12.
What is the InChIKey of 4-methyl-1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]azepan-4-ol?
The InChIKey is QMJUWWLRQSRLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-14(19)4-3-6-17(7-5-14)12-11(10-15-2)18-8-9-20-13(18)16-12/h8-9,15,19H,3-7,10H2,1-2H3.
What are the key properties of 4-methyl-1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]azepan-4-ol?
4-methyl-1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]azepan-4-ol has a molecular weight of 294.42 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]azepan-4-ol is sourced from PubChem (CID 107405457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).