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

C10H13N3O2S — CID 43475795

IUPAC6-[methyl(propyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCCCN(C)c1nc2sccn2c1C(=O)O
InChIInChI=1S/C10H13N3O2S/c1-3-4-12(2)8-7(9(14)15)13-5-6-16-10(13)11-8/h5-6H,3-4H2,1-2H3,(H,14,15)
InChIKeyUBYYVETWFKOUCC-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.94
Rot. Bonds4

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

6-[methyl(propyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 43475795) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 6-[methyl(propyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name6-[methyl(propyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID43475795
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name6-[methyl(propyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCCCN(C)c1nc2sccn2c1C(=O)O
InChIInChI=1S/C10H13N3O2S/c1-3-4-12(2)8-7(9(14)15)13-5-6-16-10(13)11-8/h5-6H,3-4H2,1-2H3,(H,14,15)
InChIKeyUBYYVETWFKOUCC-UHFFFAOYSA-N
XLogP1.94
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-(dimethylamino)propyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 63695584
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(propyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 43475992
(E)-3-[6-[methyl(propyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 43475804
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
N-methyl-5-(methylaminomethyl)-N-propylimidazo[2,1-b][1,3]thiazol-6-amine
CID 43476472
5-(aminomethyl)-N,N-dipropylimidazo[2,1-b][1,3]thiazol-6-amine
CID 43476275
6-[2-cyanoethyl(cyclopropyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 54997298
6-(4-ethylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 43475765

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(propyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 6-[methyl(propyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 43475795) is 6-[methyl(propyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 6-[methyl(propyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 6-[methyl(propyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is CCCN(C)c1nc2sccn2c1C(=O)O.
What is the InChIKey of 6-[methyl(propyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is UBYYVETWFKOUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-3-4-12(2)8-7(9(14)15)13-5-6-16-10(13)11-8/h5-6H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 6-[methyl(propyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
6-[methyl(propyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 239.30 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(propyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 43475795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).