N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-methoxyethoxy)ethanamine

C11H17N3O2S — CID 115331583

IUPACN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-methoxyethoxy)ethanamine
SMILESCOCCOCCNCc1cn2ccsc2n1
InChIInChI=1S/C11H17N3O2S/c1-15-5-6-16-4-2-12-8-10-9-14-3-7-17-11(14)13-10/h3,7,9,12H,2,4-6,8H2,1H3
InChIKeyPLQLOHWBLPFAOL-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.15
Rot. Bonds8

About N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-methoxyethoxy)ethanamine

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-methoxyethoxy)ethanamine (PubChem CID 115331583) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-methoxyethoxy)ethanamine.

Molecular Properties

Compound NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-methoxyethoxy)ethanamine
PubChem CID115331583
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-methoxyethoxy)ethanamine
SMILESCOCCOCCNCc1cn2ccsc2n1
InChIInChI=1S/C11H17N3O2S/c1-15-5-6-16-4-2-12-8-10-9-14-3-7-17-11(14)13-10/h3,7,9,12H,2,4-6,8H2,1H3
InChIKeyPLQLOHWBLPFAOL-UHFFFAOYSA-N
XLogP1.15
TPSA47.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.15
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

N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrazol-3-yl]methyl]-2-methoxyethanamine
CID 115334657
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-N-(2-methoxyethyl)acetamide
CID 112683612
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-(2-methoxyethoxy)-N-propylbutan-2-amine
CID 102928656
methyl 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetate
CID 115331415
3-bromo-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-1-amine
CID 115334551
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-iodopropan-1-amine
CID 114503614
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-(2-methoxyethyl)-4-methylpentan-1-amine
CID 115334364
4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butan-2-ol
CID 115331674
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-3-methoxypropan-1-ol
CID 106190367
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(3-methylphenoxy)ethanamine
CID 115278977
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[2-(methoxymethyl)phenyl]methanamine
CID 115331529
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylpropan-1-amine
CID 115331414

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-methoxyethoxy)ethanamine?
The IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-methoxyethoxy)ethanamine (CID 115331583) is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-methoxyethoxy)ethanamine.
What is the SMILES notation for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-methoxyethoxy)ethanamine?
The canonical SMILES for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-methoxyethoxy)ethanamine is COCCOCCNCc1cn2ccsc2n1.
What is the InChIKey of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-methoxyethoxy)ethanamine?
The InChIKey is PLQLOHWBLPFAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-15-5-6-16-4-2-12-8-10-9-14-3-7-17-11(14)13-10/h3,7,9,12H,2,4-6,8H2,1H3.
What are the key properties of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-methoxyethoxy)ethanamine?
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-methoxyethoxy)ethanamine has a molecular weight of 255.34 g/mol, XLogP of 1.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-methoxyethoxy)ethanamine is sourced from PubChem (CID 115331583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).