5-(2-aminoethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine

C12H20N4S2 — CID 112666806

IUPAC5-(2-aminoethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCSCC(C)N(C)c1nc2sccn2c1CCN
InChIInChI=1S/C12H20N4S2/c1-9(8-17-3)15(2)11-10(4-5-13)16-6-7-18-12(16)14-11/h6-7,9H,4-5,8,13H2,1-3H3
InChIKeyZCRDMNPZVJQENQ-UHFFFAOYSA-N
MW284.45 g/mol
LogP2.08
Rot. Bonds6

About 5-(2-aminoethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine

5-(2-aminoethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 112666806) has the molecular formula C12H20N4S2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID112666806
Molecular FormulaC12H20N4S2
Molecular Weight284.45 g/mol
Exact Mass284.11
IUPAC Name5-(2-aminoethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCSCC(C)N(C)c1nc2sccn2c1CCN
InChIInChI=1S/C12H20N4S2/c1-9(8-17-3)15(2)11-10(4-5-13)16-6-7-18-12(16)14-11/h6-7,9H,4-5,8,13H2,1-3H3
InChIKeyZCRDMNPZVJQENQ-UHFFFAOYSA-N
XLogP2.08
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 115986359
5-(ethylaminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 112662374
5-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 63785509
N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 115986374
5-(2-aminoethyl)-N-ethyl-N-(1-methoxypropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 55236778
5-(2-aminoethyl)-N-(1-ethylpiperidin-4-yl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 63785538
2-[[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-methylamino]propan-1-ol
CID 104552635
5-(2-aminoethyl)-N-propyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 63787515
5-(bromomethyl)-N-methyl-N-pentan-2-ylimidazo[2,1-b][1,3]thiazol-6-amine
CID 107080468
N-butan-2-yl-N-methyl-5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 43476481
N-butan-2-yl-5-(ethylaminomethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 43476483
5-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 63786892

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of 5-(2-aminoethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine (CID 112666806) is 5-(2-aminoethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for 5-(2-aminoethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine is CSCC(C)N(C)c1nc2sccn2c1CCN.
What is the InChIKey of 5-(2-aminoethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is ZCRDMNPZVJQENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S2/c1-9(8-17-3)15(2)11-10(4-5-13)16-6-7-18-12(16)14-11/h6-7,9H,4-5,8,13H2,1-3H3.
What are the key properties of 5-(2-aminoethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine?
5-(2-aminoethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 284.45 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 112666806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).