6-[3-(dimethylamino)propyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid

C12H18N4O2S — CID 63695584

IUPAC6-[3-(dimethylamino)propyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCN(C)CCCN(C)c1nc2sccn2c1C(=O)O
InChIInChI=1S/C12H18N4O2S/c1-14(2)5-4-6-15(3)10-9(11(17)18)16-7-8-19-12(16)13-10/h7-8H,4-6H2,1-3H3,(H,17,18)
InChIKeyQIAUYUYLXBOOLG-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.48
Rot. Bonds6

About 6-[3-(dimethylamino)propyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid

6-[3-(dimethylamino)propyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 63695584) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 6-[3-(dimethylamino)propyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name6-[3-(dimethylamino)propyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID63695584
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name6-[3-(dimethylamino)propyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCN(C)CCCN(C)c1nc2sccn2c1C(=O)O
InChIInChI=1S/C12H18N4O2S/c1-14(2)5-4-6-15(3)10-9(11(17)18)16-7-8-19-12(16)13-10/h7-8H,4-6H2,1-3H3,(H,17,18)
InChIKeyQIAUYUYLXBOOLG-UHFFFAOYSA-N
XLogP1.48
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[methyl(propyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 43475795
6-[2-methoxyethyl(methyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 61427156
6-[[2-(dimethylamino)-2-oxoethyl]-methylamino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 43475814
6-[methyl(thiophen-3-ylmethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 43528349
6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 63273833
6-[(5-chlorothiophen-2-yl)methyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 61442236
6-[2-cyanoethyl(cyclopropyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 54997298
(E)-3-[6-[methyl(propyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 43475804
[6-[methyl(propyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 43475992
5-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 79849748
5-[methyl-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]pentan-1-ol
CID 107203480
2-[3-(dimethylamino)propyl-ethylamino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 102993970

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)propyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 6-[3-(dimethylamino)propyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 63695584) is 6-[3-(dimethylamino)propyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 6-[3-(dimethylamino)propyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 6-[3-(dimethylamino)propyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is CN(C)CCCN(C)c1nc2sccn2c1C(=O)O.
What is the InChIKey of 6-[3-(dimethylamino)propyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is QIAUYUYLXBOOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-14(2)5-4-6-15(3)10-9(11(17)18)16-7-8-19-12(16)13-10/h7-8H,4-6H2,1-3H3,(H,17,18).
What are the key properties of 6-[3-(dimethylamino)propyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
6-[3-(dimethylamino)propyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 282.37 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)propyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 63695584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).