methyl 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate

C22H17N5O3S2 — CID 59588722

IUPACmethyl 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCOC(=O)c1c(-c2ccsc2)nc2c(C(=O)NCc3ccc4nc(N)sc4c3)cccn12
InChIInChI=1S/C22H17N5O3S2/c1-30-21(29)18-17(13-6-8-31-11-13)26-19-14(3-2-7-27(18)19)20(28)24-10-12-4-5-15-16(9-12)32-22(23)25-15/h2-9,11H,10H2,1H3,(H2,23,25)(H,24,28)
InChIKeyLOAVNNLMRWBBFY-UHFFFAOYSA-N
MW463.54 g/mol
LogP3.97
Rot. Bonds5

About methyl 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate

methyl 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 59588722) has the molecular formula C22H17N5O3S2 and a molecular weight of 463.54 g/mol. Its IUPAC name is methyl 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate
PubChem CID59588722
Molecular FormulaC22H17N5O3S2
Molecular Weight463.54 g/mol
Exact Mass463.08
IUPAC Namemethyl 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCOC(=O)c1c(-c2ccsc2)nc2c(C(=O)NCc3ccc4nc(N)sc4c3)cccn12
InChIInChI=1S/C22H17N5O3S2/c1-30-21(29)18-17(13-6-8-31-11-13)26-19-14(3-2-7-27(18)19)20(28)24-10-12-4-5-15-16(9-12)32-22(23)25-15/h2-9,11H,10H2,1H3,(H2,23,25)(H,24,28)
InChIKeyLOAVNNLMRWBBFY-UHFFFAOYSA-N
XLogP3.97
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze methyl 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of methyl 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate (CID 59588722) is methyl 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for methyl 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for methyl 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate is COC(=O)c1c(-c2ccsc2)nc2c(C(=O)NCc3ccc4nc(N)sc4c3)cccn12.
What is the InChIKey of methyl 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is LOAVNNLMRWBBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O3S2/c1-30-21(29)18-17(13-6-8-31-11-13)26-19-14(3-2-7-27(18)19)20(28)24-10-12-4-5-15-16(9-12)32-22(23)25-15/h2-9,11H,10H2,1H3,(H2,23,25)(H,24,28).
What are the key properties of methyl 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate?
methyl 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 463.54 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 59588722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).