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

C12H11N3O3S — CID 61422646

IUPAC6-[furan-3-ylmethyl(methyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCN(Cc1ccoc1)c1nc2sccn2c1C(=O)O
InChIInChI=1S/C12H11N3O3S/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)
InChIKeyAACRAYJHKAYKOO-UHFFFAOYSA-N
MW277.31 g/mol
LogP2.32
Rot. Bonds4

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

6-[furan-3-ylmethyl(methyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 61422646) has the molecular formula C12H11N3O3S and a molecular weight of 277.31 g/mol. Its IUPAC name is 6-[furan-3-ylmethyl(methyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name6-[furan-3-ylmethyl(methyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID61422646
Molecular FormulaC12H11N3O3S
Molecular Weight277.31 g/mol
Exact Mass277.05
IUPAC Name6-[furan-3-ylmethyl(methyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCN(Cc1ccoc1)c1nc2sccn2c1C(=O)O
InChIInChI=1S/C12H11N3O3S/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)
InChIKeyAACRAYJHKAYKOO-UHFFFAOYSA-N
XLogP2.32
TPSA70.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[furan-3-ylmethyl(methyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 6-[furan-3-ylmethyl(methyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 61422646) is 6-[furan-3-ylmethyl(methyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 6-[furan-3-ylmethyl(methyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 6-[furan-3-ylmethyl(methyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is CN(Cc1ccoc1)c1nc2sccn2c1C(=O)O.
What is the InChIKey of 6-[furan-3-ylmethyl(methyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is AACRAYJHKAYKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S/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-[furan-3-ylmethyl(methyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
6-[furan-3-ylmethyl(methyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 277.31 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[furan-3-ylmethyl(methyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 61422646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).