N-[[6-(4,5-dimethylimidazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methylpropan-1-amine

C15H21N5S — CID 63071941

IUPACN-[[6-(4,5-dimethylimidazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCc1ncn(-c2nc3sccn3c2CNCC(C)C)c1C
InChIInChI=1S/C15H21N5S/c1-10(2)7-16-8-13-14(18-15-19(13)5-6-21-15)20-9-17-11(3)12(20)4/h5-6,9-10,16H,7-8H2,1-4H3
InChIKeyZCROTZAGXYOTFY-UHFFFAOYSA-N
MW303.44 g/mol
LogP2.94
Rot. Bonds5

About N-[[6-(4,5-dimethylimidazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methylpropan-1-amine

N-[[6-(4,5-dimethylimidazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 63071941) has the molecular formula C15H21N5S and a molecular weight of 303.44 g/mol. Its IUPAC name is N-[[6-(4,5-dimethylimidazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[6-(4,5-dimethylimidazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID63071941
Molecular FormulaC15H21N5S
Molecular Weight303.44 g/mol
Exact Mass303.15
IUPAC NameN-[[6-(4,5-dimethylimidazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCc1ncn(-c2nc3sccn3c2CNCC(C)C)c1C
InChIInChI=1S/C15H21N5S/c1-10(2)7-16-8-13-14(18-15-19(13)5-6-21-15)20-9-17-11(3)12(20)4/h5-6,9-10,16H,7-8H2,1-4H3
InChIKeyZCROTZAGXYOTFY-UHFFFAOYSA-N
XLogP2.94
TPSA47.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[6-(4,5-dimethylimidazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 62349710
2-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 43756411
N-[[6-(2-ethylimidazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 63069814
1-[6-(4,5-dimethylimidazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
CID 63815717
N-[(6-tert-butylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 63806411
5-[(2-methylpropylamino)methyl]-N,N-dipropylimidazo[2,1-b][1,3]thiazol-6-amine
CID 63059082
N-methyl-2-[methyl-[5-[(2-methylpropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]acetamide
CID 63058784
2-[methyl-[5-[(2-methylpropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]acetamide
CID 63059665
N-[[6-(4-ethyl-3,5-dimethylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 61237982
N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 62129252
3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propane-1,2-diol
CID 66178002
1-[6-(2-methylimidazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
CID 63815708

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4,5-dimethylimidazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[6-(4,5-dimethylimidazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methylpropan-1-amine (CID 63071941) is N-[[6-(4,5-dimethylimidazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[6-(4,5-dimethylimidazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[6-(4,5-dimethylimidazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methylpropan-1-amine is Cc1ncn(-c2nc3sccn3c2CNCC(C)C)c1C.
What is the InChIKey of N-[[6-(4,5-dimethylimidazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is ZCROTZAGXYOTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5S/c1-10(2)7-16-8-13-14(18-15-19(13)5-6-21-15)20-9-17-11(3)12(20)4/h5-6,9-10,16H,7-8H2,1-4H3.
What are the key properties of N-[[6-(4,5-dimethylimidazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methylpropan-1-amine?
N-[[6-(4,5-dimethylimidazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 303.44 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4,5-dimethylimidazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63071941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).