3-methoxy-2-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propan-1-ol

C11H17N3O3S — CID 106187628

IUPAC3-methoxy-2-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propan-1-ol
SMILESCOCC(CO)NCc1c(OC)nc2sccn12
InChIInChI=1S/C11H17N3O3S/c1-16-7-8(6-15)12-5-9-10(17-2)13-11-14(9)3-4-18-11/h3-4,8,12,15H,5-7H2,1-2H3
InChIKeyCBTBPBQMVAGSCI-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.50
Rot. Bonds7

About 3-methoxy-2-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propan-1-ol

3-methoxy-2-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propan-1-ol (PubChem CID 106187628) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-methoxy-2-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name3-methoxy-2-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propan-1-ol
PubChem CID106187628
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name3-methoxy-2-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propan-1-ol
SMILESCOCC(CO)NCc1c(OC)nc2sccn12
InChIInChI=1S/C11H17N3O3S/c1-16-7-8(6-15)12-5-9-10(17-2)13-11-14(9)3-4-18-11/h3-4,8,12,15H,5-7H2,1-2H3
InChIKeyCBTBPBQMVAGSCI-UHFFFAOYSA-N
XLogP0.50
TPSA68.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propan-1-ol?
The IUPAC name of 3-methoxy-2-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propan-1-ol (CID 106187628) is 3-methoxy-2-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propan-1-ol.
What is the SMILES notation for 3-methoxy-2-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propan-1-ol?
The canonical SMILES for 3-methoxy-2-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propan-1-ol is COCC(CO)NCc1c(OC)nc2sccn12.
What is the InChIKey of 3-methoxy-2-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propan-1-ol?
The InChIKey is CBTBPBQMVAGSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-16-7-8(6-15)12-5-9-10(17-2)13-11-14(9)3-4-18-11/h3-4,8,12,15H,5-7H2,1-2H3.
What are the key properties of 3-methoxy-2-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propan-1-ol?
3-methoxy-2-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propan-1-ol has a molecular weight of 271.34 g/mol, XLogP of 0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propan-1-ol is sourced from PubChem (CID 106187628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).