1-[5-[(2-methoxyethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidine-3,4-diol

C13H20N4O3S — CID 106670393

IUPAC1-[5-[(2-methoxyethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidine-3,4-diol
SMILESCOCCNCc1c(N2CC(O)C(O)C2)nc2sccn12
InChIInChI=1S/C13H20N4O3S/c1-20-4-2-14-6-9-12(15-13-17(9)3-5-21-13)16-7-10(18)11(19)8-16/h3,5,10-11,14,18-19H,2,4,6-8H2,1H3
InChIKeyKEBNDABFGOBEMJ-UHFFFAOYSA-N
MW312.40 g/mol
LogP-0.33
Rot. Bonds6

About 1-[5-[(2-methoxyethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidine-3,4-diol

1-[5-[(2-methoxyethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidine-3,4-diol (PubChem CID 106670393) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is 1-[5-[(2-methoxyethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[5-[(2-methoxyethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidine-3,4-diol
PubChem CID106670393
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC Name1-[5-[(2-methoxyethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidine-3,4-diol
SMILESCOCCNCc1c(N2CC(O)C(O)C2)nc2sccn12
InChIInChI=1S/C13H20N4O3S/c1-20-4-2-14-6-9-12(15-13-17(9)3-5-21-13)16-7-10(18)11(19)8-16/h3,5,10-11,14,18-19H,2,4,6-8H2,1H3
InChIKeyKEBNDABFGOBEMJ-UHFFFAOYSA-N
XLogP-0.33
TPSA82.26 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[(6-piperidin-1-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 63059091
2-methoxy-N-[[6-(3-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 63059967
N-[[6-(3,4-dimethylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 79188181
2-methoxy-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 43756272
N-[[6-(2-ethylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methoxyethanamine
CID 63060055
2-[cyclopropyl-[5-[(2-methoxyethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]ethanol
CID 63069954
N-[[6-(3,4,5-trimethylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 114538713
methyl 3-[5-[(2-methoxyethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylpropanoate
CID 63809605
3-methoxy-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 43769566
5-(chloromethyl)-6-(3,4-dimethoxypyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazole
CID 103535533
N-cyclopropyl-5-(ethylaminomethyl)-N-(2-methoxyethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 61452321
1-[6-(2,6-dimethylmorpholin-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 43476247

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-methoxyethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[5-[(2-methoxyethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidine-3,4-diol (CID 106670393) is 1-[5-[(2-methoxyethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[5-[(2-methoxyethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[5-[(2-methoxyethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidine-3,4-diol is COCCNCc1c(N2CC(O)C(O)C2)nc2sccn12.
What is the InChIKey of 1-[5-[(2-methoxyethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidine-3,4-diol?
The InChIKey is KEBNDABFGOBEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-20-4-2-14-6-9-12(15-13-17(9)3-5-21-13)16-7-10(18)11(19)8-16/h3,5,10-11,14,18-19H,2,4,6-8H2,1H3.
What are the key properties of 1-[5-[(2-methoxyethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidine-3,4-diol?
1-[5-[(2-methoxyethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidine-3,4-diol has a molecular weight of 312.40 g/mol, XLogP of -0.33, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-methoxyethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106670393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).