2-methoxy-N-[[6-(1,3-thiazol-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine

C12H14N4OS3 — CID 63812837

IUPAC2-methoxy-N-[[6-(1,3-thiazol-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
SMILESCOCCNCc1c(Sc2nccs2)nc2sccn12
InChIInChI=1S/C12H14N4OS3/c1-17-5-2-13-8-9-10(20-12-14-3-6-19-12)15-11-16(9)4-7-18-11/h3-4,6-7,13H,2,5,8H2,1H3
InChIKeyYEKYPWVPKYGEAM-UHFFFAOYSA-N
MW326.47 g/mol
LogP2.74
Rot. Bonds7

About 2-methoxy-N-[[6-(1,3-thiazol-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine

2-methoxy-N-[[6-(1,3-thiazol-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine (PubChem CID 63812837) has the molecular formula C12H14N4OS3 and a molecular weight of 326.47 g/mol. Its IUPAC name is 2-methoxy-N-[[6-(1,3-thiazol-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[6-(1,3-thiazol-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
PubChem CID63812837
Molecular FormulaC12H14N4OS3
Molecular Weight326.47 g/mol
Exact Mass326.03
IUPAC Name2-methoxy-N-[[6-(1,3-thiazol-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
SMILESCOCCNCc1c(Sc2nccs2)nc2sccn12
InChIInChI=1S/C12H14N4OS3/c1-17-5-2-13-8-9-10(20-12-14-3-6-19-12)15-11-16(9)4-7-18-11/h3-4,6-7,13H,2,5,8H2,1H3
InChIKeyYEKYPWVPKYGEAM-UHFFFAOYSA-N
XLogP2.74
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[5-[(2-methoxyethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylpropanoate
CID 63809605
2-methoxy-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 43756272
1-[6-(2-methoxyethylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 63808708
N-[(6-pyrimidin-2-ylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 63805833
2-methoxy-N-[(6-piperidin-1-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 63059091
3-methoxy-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 43769566
1-[5-[(2-methoxyethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidine-3,4-diol
CID 106670393
N-[(6-phenylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 63804515
2-[cyclopropyl-[5-[(2-methoxyethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]ethanol
CID 63069954
2-methoxy-N-[[6-(1,3-thiazol-2-ylsulfanyl)-3-pyridinyl]methyl]ethanamine
CID 80651411
3-(2-methoxyethoxy)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 43770890
N-[[2-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]ethanamine
CID 55239075

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[6-(1,3-thiazol-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[6-(1,3-thiazol-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine (CID 63812837) is 2-methoxy-N-[[6-(1,3-thiazol-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[6-(1,3-thiazol-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[6-(1,3-thiazol-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine is COCCNCc1c(Sc2nccs2)nc2sccn12.
What is the InChIKey of 2-methoxy-N-[[6-(1,3-thiazol-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine?
The InChIKey is YEKYPWVPKYGEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS3/c1-17-5-2-13-8-9-10(20-12-14-3-6-19-12)15-11-16(9)4-7-18-11/h3-4,6-7,13H,2,5,8H2,1H3.
What are the key properties of 2-methoxy-N-[[6-(1,3-thiazol-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine?
2-methoxy-N-[[6-(1,3-thiazol-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine has a molecular weight of 326.47 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[6-(1,3-thiazol-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 63812837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).