2-[cyclopropyl-[5-[(2-methoxyethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]ethanol

C14H22N4O2S — CID 63069954

IUPAC2-[cyclopropyl-[5-[(2-methoxyethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]ethanol
SMILESCOCCNCc1c(N(CCO)C2CC2)nc2sccn12
InChIInChI=1S/C14H22N4O2S/c1-20-8-4-15-10-12-13(16-14-18(12)6-9-21-14)17(5-7-19)11-2-3-11/h6,9,11,15,19H,2-5,7-8,10H2,1H3
InChIKeyIHAJKQIIYUAJSF-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.09
Rot. Bonds9

About 2-[cyclopropyl-[5-[(2-methoxyethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]ethanol

2-[cyclopropyl-[5-[(2-methoxyethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]ethanol (PubChem CID 63069954) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-[cyclopropyl-[5-[(2-methoxyethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclopropyl-[5-[(2-methoxyethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]ethanol
PubChem CID63069954
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name2-[cyclopropyl-[5-[(2-methoxyethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]ethanol
SMILESCOCCNCc1c(N(CCO)C2CC2)nc2sccn12
InChIInChI=1S/C14H22N4O2S/c1-20-8-4-15-10-12-13(16-14-18(12)6-9-21-14)17(5-7-19)11-2-3-11/h6,9,11,15,19H,2-5,7-8,10H2,1H3
InChIKeyIHAJKQIIYUAJSF-UHFFFAOYSA-N
XLogP1.09
TPSA62.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[cyclopropyl-[5-[(2-methoxyethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]ethanol with MolForge

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Related Compounds

N-cyclopropyl-5-(ethylaminomethyl)-N-(2-methoxyethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 61452321
N-cyclopropyl-N-ethyl-5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43476423
1-[5-[(2-methoxyethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidine-3,4-diol
CID 106670393
N-cyclopropyl-5-(methylaminomethyl)-N-propylimidazo[2,1-b][1,3]thiazol-6-amine
CID 43476466
2-methoxy-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 43756272
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-(2-ethylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methoxyethanamine
CID 63060055
methyl 3-[5-[(2-methoxyethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylpropanoate
CID 63809605
3-[6-[cyclopropyl(2-methoxyethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 76904438
2-[ethyl-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]ethanol
CID 54879823
N,N-bis(2-methoxyethyl)-5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 61418301

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[5-[(2-methoxyethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]ethanol?
The IUPAC name of 2-[cyclopropyl-[5-[(2-methoxyethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]ethanol (CID 63069954) is 2-[cyclopropyl-[5-[(2-methoxyethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]ethanol.
What is the SMILES notation for 2-[cyclopropyl-[5-[(2-methoxyethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]ethanol?
The canonical SMILES for 2-[cyclopropyl-[5-[(2-methoxyethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]ethanol is COCCNCc1c(N(CCO)C2CC2)nc2sccn12.
What is the InChIKey of 2-[cyclopropyl-[5-[(2-methoxyethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]ethanol?
The InChIKey is IHAJKQIIYUAJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-20-8-4-15-10-12-13(16-14-18(12)6-9-21-14)17(5-7-19)11-2-3-11/h6,9,11,15,19H,2-5,7-8,10H2,1H3.
What are the key properties of 2-[cyclopropyl-[5-[(2-methoxyethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]ethanol?
2-[cyclopropyl-[5-[(2-methoxyethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]ethanol has a molecular weight of 310.42 g/mol, XLogP of 1.09, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[5-[(2-methoxyethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]ethanol is sourced from PubChem (CID 63069954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).