2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]benzoic acid

C15H15N3O2S — CID 43625878

IUPAC2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]benzoic acid
SMILESCc1cn2c(CNc3ccccc3C(=O)O)c(C)nc2s1
InChIInChI=1S/C15H15N3O2S/c1-9-8-18-13(10(2)17-15(18)21-9)7-16-12-6-4-3-5-11(12)14(19)20/h3-6,8,16H,7H2,1-2H3,(H,19,20)
InChIKeyDXGVJXOKSQHUEK-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.32
Rot. Bonds4

About 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]benzoic acid

2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]benzoic acid (PubChem CID 43625878) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]benzoic acid.

Molecular Properties

Compound Name2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]benzoic acid
PubChem CID43625878
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]benzoic acid
SMILESCc1cn2c(CNc3ccccc3C(=O)O)c(C)nc2s1
InChIInChI=1S/C15H15N3O2S/c1-9-8-18-13(10(2)17-15(18)21-9)7-16-12-6-4-3-5-11(12)14(19)20/h3-6,8,16H,7H2,1-2H3,(H,19,20)
InChIKeyDXGVJXOKSQHUEK-UHFFFAOYSA-N
XLogP3.32
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]benzoic acid?
The IUPAC name of 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]benzoic acid (CID 43625878) is 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]benzoic acid.
What is the SMILES notation for 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]benzoic acid?
The canonical SMILES for 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]benzoic acid is Cc1cn2c(CNc3ccccc3C(=O)O)c(C)nc2s1.
What is the InChIKey of 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]benzoic acid?
The InChIKey is DXGVJXOKSQHUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-9-8-18-13(10(2)17-15(18)21-9)7-16-12-6-4-3-5-11(12)14(19)20/h3-6,8,16H,7H2,1-2H3,(H,19,20).
What are the key properties of 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]benzoic acid?
2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]benzoic acid has a molecular weight of 301.37 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]benzoic acid is sourced from PubChem (CID 43625878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).