N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-(morpholine-4-carbonyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide

C25H22N6O3S2 — CID 25095486

IUPACN-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-(morpholine-4-carbonyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide
SMILESNc1nc2ccc(CNC(=O)c3cccn4c(C(=O)N5CCOCC5)c(-c5ccsc5)nc34)cc2s1
InChIInChI=1S/C25H22N6O3S2/c26-25-28-18-4-3-15(12-19(18)36-25)13-27-23(32)17-2-1-6-31-21(24(33)30-7-9-34-10-8-30)20(29-22(17)31)16-5-11-35-14-16/h1-6,11-12,14H,7-10,13H2,(H2,26,28)(H,27,32)
InChIKeyONRYHYOIAOUKHX-UHFFFAOYSA-N
MW518.62 g/mol
LogP3.66
Rot. Bonds5

About N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-(morpholine-4-carbonyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide

N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-(morpholine-4-carbonyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide (PubChem CID 25095486) has the molecular formula C25H22N6O3S2 and a molecular weight of 518.62 g/mol. Its IUPAC name is N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-(morpholine-4-carbonyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-(morpholine-4-carbonyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide
PubChem CID25095486
Molecular FormulaC25H22N6O3S2
Molecular Weight518.62 g/mol
Exact Mass518.12
IUPAC NameN-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-(morpholine-4-carbonyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide
SMILESNc1nc2ccc(CNC(=O)c3cccn4c(C(=O)N5CCOCC5)c(-c5ccsc5)nc34)cc2s1
InChIInChI=1S/C25H22N6O3S2/c26-25-28-18-4-3-15(12-19(18)36-25)13-27-23(32)17-2-1-6-31-21(24(33)30-7-9-34-10-8-30)20(29-22(17)31)16-5-11-35-14-16/h1-6,11-12,14H,7-10,13H2,(H2,26,28)(H,27,32)
InChIKeyONRYHYOIAOUKHX-UHFFFAOYSA-N
XLogP3.66
TPSA114.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.62
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

4-[8-(4-Morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide
CID 57399216
7-cyano-N-[[3-[[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 84973070
N-(6-ethyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 4783607
2-ethyl-3-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 46942984
2-[(2R)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 56598444
3-[(2R)-1-(7-cyanoimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 56598714
6-cyano-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 84973051
2-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2,6-dicarboxamide
CID 84973084
2-[(2R)-2-[3-[[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 88561479
N-(2-amino-5-thiophen-2-ylphenyl)-2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxamide
CID 119099061
2-Phenyl-N-(2-thienylmethyl)imidazo[2,1-B][1,3]benzothiazole-7-carboxamide
CID 16018536
N-(cyclohexylmethyl)-2-ethyl-3-[methyl(1,3-thiazol-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide
CID 46948061

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-(morpholine-4-carbonyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide?
The IUPAC name of N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-(morpholine-4-carbonyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide (CID 25095486) is N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-(morpholine-4-carbonyl)-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-(morpholine-4-carbonyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide?
The canonical SMILES for N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-(morpholine-4-carbonyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide is Nc1nc2ccc(CNC(=O)c3cccn4c(C(=O)N5CCOCC5)c(-c5ccsc5)nc34)cc2s1.
What is the InChIKey of N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-(morpholine-4-carbonyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide?
The InChIKey is ONRYHYOIAOUKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O3S2/c26-25-28-18-4-3-15(12-19(18)36-25)13-27-23(32)17-2-1-6-31-21(24(33)30-7-9-34-10-8-30)20(29-22(17)31)16-5-11-35-14-16/h1-6,11-12,14H,7-10,13H2,(H2,26,28)(H,27,32).
What are the key properties of N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-(morpholine-4-carbonyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide?
N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-(morpholine-4-carbonyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide has a molecular weight of 518.62 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-(morpholine-4-carbonyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 25095486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).