1-[6-(2-methoxyethylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine

C10H15N3OS2 — CID 63808708

IUPAC1-[6-(2-methoxyethylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1c(SCCOC)nc2sccn12
InChIInChI=1S/C10H15N3OS2/c1-11-7-8-9(15-6-4-14-2)12-10-13(8)3-5-16-10/h3,5,11H,4,6-7H2,1-2H3
InChIKeyKASMZQMLUWNGEE-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.85
Rot. Bonds6

About 1-[6-(2-methoxyethylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine

1-[6-(2-methoxyethylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine (PubChem CID 63808708) has the molecular formula C10H15N3OS2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-[6-(2-methoxyethylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(2-methoxyethylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
PubChem CID63808708
Molecular FormulaC10H15N3OS2
Molecular Weight257.38 g/mol
Exact Mass257.07
IUPAC Name1-[6-(2-methoxyethylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1c(SCCOC)nc2sccn12
InChIInChI=1S/C10H15N3OS2/c1-11-7-8-9(15-6-4-14-2)12-10-13(8)3-5-16-10/h3,5,11H,4,6-7H2,1-2H3
InChIKeyKASMZQMLUWNGEE-UHFFFAOYSA-N
XLogP1.85
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.85
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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Related Compounds

3-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylpropan-1-ol
CID 66128131
methyl 3-[5-[(2-methoxyethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylpropanoate
CID 63809605
[6-(3-methoxypropylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 63855809
N,N-bis(2-methoxyethyl)-5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 61418301
2-[5-[(tert-butylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylethanol
CID 63809975
N-(2-methoxyethoxy)-1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
CID 82715198
1-[6-(4,6-dimethylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 63808078
2-methoxy-N-[[6-(1,3-thiazol-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 63812837
3-[5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylpropan-1-ol
CID 66127925
N-methyl-1-[6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 115383874
(6-propylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
CID 39194776
2-methoxy-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 43756272

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-methoxyethylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[6-(2-methoxyethylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine (CID 63808708) is 1-[6-(2-methoxyethylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(2-methoxyethylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(2-methoxyethylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine is CNCc1c(SCCOC)nc2sccn12.
What is the InChIKey of 1-[6-(2-methoxyethylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine?
The InChIKey is KASMZQMLUWNGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS2/c1-11-7-8-9(15-6-4-14-2)12-10-13(8)3-5-16-10/h3,5,11H,4,6-7H2,1-2H3.
What are the key properties of 1-[6-(2-methoxyethylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine?
1-[6-(2-methoxyethylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine has a molecular weight of 257.38 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-methoxyethylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 63808708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).