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

C12H11N3O2S2 — CID 43528349

IUPAC6-[methyl(thiophen-3-ylmethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCN(Cc1ccsc1)c1nc2sccn2c1C(=O)O
InChIInChI=1S/C12H11N3O2S2/c1-14(6-8-2-4-18-7-8)10-9(11(16)17)15-3-5-19-12(15)13-10/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyYIFFZYUSUZOKMD-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.79
Rot. Bonds4

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

6-[methyl(thiophen-3-ylmethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 43528349) has the molecular formula C12H11N3O2S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 6-[methyl(thiophen-3-ylmethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name6-[methyl(thiophen-3-ylmethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID43528349
Molecular FormulaC12H11N3O2S2
Molecular Weight293.37 g/mol
Exact Mass293.03
IUPAC Name6-[methyl(thiophen-3-ylmethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCN(Cc1ccsc1)c1nc2sccn2c1C(=O)O
InChIInChI=1S/C12H11N3O2S2/c1-14(6-8-2-4-18-7-8)10-9(11(16)17)15-3-5-19-12(15)13-10/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyYIFFZYUSUZOKMD-UHFFFAOYSA-N
XLogP2.79
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(aminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43528430
6-[methyl(propyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 43475795
6-[(5-chlorothiophen-2-yl)methyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 61442236
6-[3-(dimethylamino)propyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 63695584
6-[[2-(dimethylamino)-2-oxoethyl]-methylamino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 43475814
6-[2-methoxyethyl(methyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 61427156
6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 63273833
6-[methyl(thiophen-3-ylmethyl)amino]pyrazine-2-carboxylic acid
CID 66457207
5-[methyl(thiophen-3-ylmethyl)amino]pyridine-2-carboxylic acid
CID 115490786
2-ethyl-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carboxylic acid
CID 113380132
6-[furan-3-ylmethyl(methyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 61422494
5-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43564433

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(thiophen-3-ylmethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 6-[methyl(thiophen-3-ylmethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 43528349) is 6-[methyl(thiophen-3-ylmethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 6-[methyl(thiophen-3-ylmethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 6-[methyl(thiophen-3-ylmethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is CN(Cc1ccsc1)c1nc2sccn2c1C(=O)O.
What is the InChIKey of 6-[methyl(thiophen-3-ylmethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is YIFFZYUSUZOKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S2/c1-14(6-8-2-4-18-7-8)10-9(11(16)17)15-3-5-19-12(15)13-10/h2-5,7H,6H2,1H3,(H,16,17).
What are the key properties of 6-[methyl(thiophen-3-ylmethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
6-[methyl(thiophen-3-ylmethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(thiophen-3-ylmethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 43528349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).