2-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine

C12H20N4OS — CID 82946403

IUPAC2-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCOc1nc2sccn2c1CNC(C)CN(C)C
InChIInChI=1S/C12H20N4OS/c1-9(8-15(2)3)13-7-10-11(17-4)14-12-16(10)5-6-18-12/h5-6,9,13H,7-8H2,1-4H3
InChIKeyQLYBCVMIVDPUPG-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.44
Rot. Bonds6

About 2-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine

2-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 82946403) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 2-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID82946403
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name2-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCOc1nc2sccn2c1CNC(C)CN(C)C
InChIInChI=1S/C12H20N4OS/c1-9(8-15(2)3)13-7-10-11(17-4)14-12-16(10)5-6-18-12/h5-6,9,13H,7-8H2,1-4H3
InChIKeyQLYBCVMIVDPUPG-UHFFFAOYSA-N
XLogP1.44
TPSA41.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine (CID 82946403) is 2-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine is COc1nc2sccn2c1CNC(C)CN(C)C.
What is the InChIKey of 2-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is QLYBCVMIVDPUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-9(8-15(2)3)13-7-10-11(17-4)14-12-16(10)5-6-18-12/h5-6,9,13H,7-8H2,1-4H3.
What are the key properties of 2-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 268.39 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 82946403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).