N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-(hydroxymethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide

C21H17N5O2S2 — CID 25095225

IUPACN-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-(hydroxymethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide
SMILESNc1nc2ccc(CNC(=O)c3cccn4c(CO)c(-c5ccsc5)nc34)cc2s1
InChIInChI=1S/C21H17N5O2S2/c22-21-24-15-4-3-12(8-17(15)30-21)9-23-20(28)14-2-1-6-26-16(10-27)18(25-19(14)26)13-5-7-29-11-13/h1-8,11,27H,9-10H2,(H2,22,24)(H,23,28)
InChIKeySPSUQXZPYAWELQ-UHFFFAOYSA-N
MW435.53 g/mol
LogP3.68
Rot. Bonds5

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

N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-(hydroxymethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide (PubChem CID 25095225) has the molecular formula C21H17N5O2S2 and a molecular weight of 435.53 g/mol. Its IUPAC name is N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-(hydroxymethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-(hydroxymethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide
PubChem CID25095225
Molecular FormulaC21H17N5O2S2
Molecular Weight435.53 g/mol
Exact Mass435.08
IUPAC NameN-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-(hydroxymethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide
SMILESNc1nc2ccc(CNC(=O)c3cccn4c(CO)c(-c5ccsc5)nc34)cc2s1
InChIInChI=1S/C21H17N5O2S2/c22-21-24-15-4-3-12(8-17(15)30-21)9-23-20(28)14-2-1-6-26-16(10-27)18(25-19(14)26)13-5-7-29-11-13/h1-8,11,27H,9-10H2,(H2,22,24)(H,23,28)
InChIKeySPSUQXZPYAWELQ-UHFFFAOYSA-N
XLogP3.68
TPSA105.54 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-(hydroxymethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide?
The IUPAC name of N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-(hydroxymethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide (CID 25095225) is N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-(hydroxymethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide.
What is the SMILES notation for N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-(hydroxymethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide?
The canonical SMILES for N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-(hydroxymethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide is Nc1nc2ccc(CNC(=O)c3cccn4c(CO)c(-c5ccsc5)nc34)cc2s1.
What is the InChIKey of N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-(hydroxymethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide?
The InChIKey is SPSUQXZPYAWELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2S2/c22-21-24-15-4-3-12(8-17(15)30-21)9-23-20(28)14-2-1-6-26-16(10-27)18(25-19(14)26)13-5-7-29-11-13/h1-8,11,27H,9-10H2,(H2,22,24)(H,23,28).
What are the key properties of N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-(hydroxymethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide?
N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-(hydroxymethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 3.68, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-(hydroxymethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 25095225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).