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

C64H49N15O8S6 — CID 159593021

IUPAC8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid;N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-(hydroxymethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide;methyl 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.Nc1nc2ccc(CNC(=O)c3cccn4c(C(=O)O)c(-c5ccsc5)nc34)cc2s1.Nc1nc2ccc(CNC(=O)c3cccn4c(CO)c(-c5ccsc5)nc34)cc2s1
InChIInChI=1S/C22H17N5O3S2.C21H15N5O3S2.C21H17N5O2S2/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;22-21-24-14-4-3-11(8-15(14)31-21)9-23-19(27)13-2-1-6-26-17(20(28)29)16(25-18(13)26)12-5-7-30-10-12;22-21-24-15-4-3-12(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/h2-9,11H,10H2,1H3,(H2,23,25)(H,24,28);1-8,10H,9H2,(H2,22,24)(H,23,27)(H,28,29);1-8,11,27H,9-10H2,(H2,22,24)(H,23,28)
InChIKeyMKMAZRCQLKENEF-UHFFFAOYSA-N
MW1348.59 g/mol
LogP11.53
Rot. Bonds15

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

8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid;N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-(hydroxymethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide;methyl 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 159593021) has the molecular formula C64H49N15O8S6 and a molecular weight of 1348.59 g/mol. Its IUPAC name is 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid;N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-(hydroxymethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide;methyl 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Name8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid;N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-(hydroxymethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide;methyl 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate
PubChem CID159593021
Molecular FormulaC64H49N15O8S6
Molecular Weight1348.59 g/mol
Exact Mass1347.22
IUPAC Name8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid;N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-(hydroxymethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide;methyl 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.Nc1nc2ccc(CNC(=O)c3cccn4c(C(=O)O)c(-c5ccsc5)nc34)cc2s1.Nc1nc2ccc(CNC(=O)c3cccn4c(CO)c(-c5ccsc5)nc34)cc2s1
InChIInChI=1S/C22H17N5O3S2.C21H15N5O3S2.C21H17N5O2S2/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;22-21-24-14-4-3-11(8-15(14)31-21)9-23-19(27)13-2-1-6-26-17(20(28)29)16(25-18(13)26)12-5-7-30-10-12;22-21-24-15-4-3-12(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/h2-9,11H,10H2,1H3,(H2,23,25)(H,24,28);1-8,10H,9H2,(H2,22,24)(H,23,27)(H,28,29);1-8,11,27H,9-10H2,(H2,22,24)(H,23,28)
InChIKeyMKMAZRCQLKENEF-UHFFFAOYSA-N
XLogP11.53
TPSA339.76 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds15
Heavy Atoms93
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001348.59
LogP ≤ 511.53
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

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

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Related Compounds

ethyl N-[2-(imidazo[2,1-b][1,3]benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;2-morpholin-4-ylethyl 2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carboxylate;prop-2-enyl N-[[2-(1,3-benzothiazole-2-carbonylamino)thiophen-3-yl]-hydroxymethyl]carbamate;[2-(trifluoromethyl)phenyl]methyl 3-[2-(1,3-benzothiazole-2-carbonylamino)thiophen-3-yl]-3-oxopropanoate;[2-(trifluoromethyl)phenyl]methyl 3-oxo-3-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophen-3-yl]propanoate
CID 161345956
8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N-[1-(hydroxymethyl)cyclopentyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
CID 25094407
8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-6-phenyl-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
CID 25094681
8-[(2-Amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-pyridin-4-ylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 25094957
8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
CID 25095220
N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-(hydroxymethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide
CID 25095225
N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-[(3R)-3-hydroxypiperidine-1-carbonyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide
CID 25095490
N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide
CID 25095745
8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N-[(3S,4S)-4-morpholin-4-yloxolan-3-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
CID 25096005
8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
CID 25096261
N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide
CID 25096759
8-[(2-Amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 59588301

Frequently Asked Questions

What is the IUPAC name of 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid;N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-(hydroxymethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide;methyl 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid;N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-(hydroxymethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide;methyl 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate (CID 159593021) is 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid;N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-(hydroxymethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide;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 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid;N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-(hydroxymethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide;methyl 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid;N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-(hydroxymethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide;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.Nc1nc2ccc(CNC(=O)c3cccn4c(C(=O)O)c(-c5ccsc5)nc34)cc2s1.Nc1nc2ccc(CNC(=O)c3cccn4c(CO)c(-c5ccsc5)nc34)cc2s1.
What is the InChIKey of 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid;N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-(hydroxymethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide;methyl 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is MKMAZRCQLKENEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O3S2.C21H15N5O3S2.C21H17N5O2S2/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;22-21-24-14-4-3-11(8-15(14)31-21)9-23-19(27)13-2-1-6-26-17(20(28)29)16(25-18(13)26)12-5-7-30-10-12;22-21-24-15-4-3-12(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/h2-9,11H,10H2,1H3,(H2,23,25)(H,24,28);1-8,10H,9H2,(H2,22,24)(H,23,27)(H,28,29);1-8,11,27H,9-10H2,(H2,22,24)(H,23,28).
What are the key properties of 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid;N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-(hydroxymethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide;methyl 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate?
8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid;N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-(hydroxymethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide;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 1348.59 g/mol, XLogP of 11.53, 15 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid;N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-(hydroxymethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carboxamide;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 159593021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).