4-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-methylbutan-1-ol

C12H19N3O2S — CID 66090379

IUPAC4-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-methylbutan-1-ol
SMILESCOc1nc2sccn2c1CNCC(C)CCO
InChIInChI=1S/C12H19N3O2S/c1-9(3-5-16)7-13-8-10-11(17-2)14-12-15(10)4-6-18-12/h4,6,9,13,16H,3,5,7-8H2,1-2H3
InChIKeyIASDLNBGPZPCKT-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.51
Rot. Bonds7

About 4-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-methylbutan-1-ol

4-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-methylbutan-1-ol (PubChem CID 66090379) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-methylbutan-1-ol
PubChem CID66090379
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name4-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-methylbutan-1-ol
SMILESCOc1nc2sccn2c1CNCC(C)CCO
InChIInChI=1S/C12H19N3O2S/c1-9(3-5-16)7-13-8-10-11(17-2)14-12-15(10)4-6-18-12/h4,6,9,13,16H,3,5,7-8H2,1-2H3
InChIKeyIASDLNBGPZPCKT-UHFFFAOYSA-N
XLogP1.51
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-methylbutan-1-ol?
The IUPAC name of 4-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-methylbutan-1-ol (CID 66090379) is 4-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 4-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-methylbutan-1-ol?
The canonical SMILES for 4-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-methylbutan-1-ol is COc1nc2sccn2c1CNCC(C)CCO.
What is the InChIKey of 4-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-methylbutan-1-ol?
The InChIKey is IASDLNBGPZPCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-9(3-5-16)7-13-8-10-11(17-2)14-12-15(10)4-6-18-12/h4,6,9,13,16H,3,5,7-8H2,1-2H3.
What are the key properties of 4-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-methylbutan-1-ol?
4-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-methylbutan-1-ol has a molecular weight of 269.37 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 66090379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).