N-(2-aminophenyl)-5-[[4-[6-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[8-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;5-[[4-(5-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide;5-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide

C108H103N31O7S10 — CID 158235573

IUPACN-(2-aminophenyl)-5-[[4-[6-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[8-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;5-[[4-(5-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide;5-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide
SMILESCN(C)Cc1ccc2ncc(-c3csc(Nc4ccc(C(=O)Nc5ccccc5N)s4)n3)n2c1.CN(C)Cc1cccn2c(-c3csc(Nc4ccc(C(=O)Nc5ccccc5N)s4)n3)cnc12.CN(C)Cc1ccn2c(-c3csc(Nc4ccc(C(=O)Nc5ccccc5N)s4)n3)cnc2c1.CNC(=O)c1ccc(Nc2nc(-c3c(C)nc4c(OC)cccn34)cs2)s1.CNC(=O)c1ccc(Nc2nc(-c3c(C)nc4cccc(OC)n34)cs2)s1
InChIInChI=1S/3C24H23N7OS2.2C18H17N5O2S2/c1-30(2)13-15-6-5-11-31-19(12-26-22(15)31)18-14-33-24(28-18)29-21-10-9-20(34-21)23(32)27-17-8-4-3-7-16(17)25;1-30(2)12-15-7-9-21-26-11-19(31(21)13-15)18-14-33-24(28-18)29-22-10-8-20(34-22)23(32)27-17-6-4-3-5-16(17)25;1-30(2)13-15-9-10-31-19(12-26-21(31)11-15)18-14-33-24(28-18)29-22-8-7-20(34-22)23(32)27-17-6-4-3-5-16(17)25;1-10-15(23-8-4-5-12(25-3)16(23)20-10)11-9-26-18(21-11)22-14-7-6-13(27-14)17(24)19-2;1-10-16(23-13(20-10)5-4-6-15(23)25-3)11-9-26-18(21-11)22-14-8-7-12(27-14)17(24)19-2/h3-12,14H,13,25H2,1-2H3,(H,27,32)(H,28,29);3-11,13-14H,12,25H2,1-2H3,(H,27,32)(H,28,29);3-12,14H,13,25H2,1-2H3,(H,27,32)(H,28,29);2*4-9H,1-3H3,(H,19,24)(H,21,22)
InChIKeyGEXMOXDKDIDMAJ-UHFFFAOYSA-N
MW2267.89 g/mol
LogP23.36
Rot. Bonds31

About N-(2-aminophenyl)-5-[[4-[6-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[8-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;5-[[4-(5-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide;5-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide

N-(2-aminophenyl)-5-[[4-[6-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[8-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;5-[[4-(5-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide;5-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide (PubChem CID 158235573) has the molecular formula C108H103N31O7S10 and a molecular weight of 2267.89 g/mol. Its IUPAC name is N-(2-aminophenyl)-5-[[4-[6-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[8-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;5-[[4-(5-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide;5-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-5-[[4-[6-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[8-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;5-[[4-(5-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide;5-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide
PubChem CID158235573
Molecular FormulaC108H103N31O7S10
Molecular Weight2267.89 g/mol
Exact Mass2265.59
IUPAC NameN-(2-aminophenyl)-5-[[4-[6-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[8-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;5-[[4-(5-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide;5-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide
SMILESCN(C)Cc1ccc2ncc(-c3csc(Nc4ccc(C(=O)Nc5ccccc5N)s4)n3)n2c1.CN(C)Cc1cccn2c(-c3csc(Nc4ccc(C(=O)Nc5ccccc5N)s4)n3)cnc12.CN(C)Cc1ccn2c(-c3csc(Nc4ccc(C(=O)Nc5ccccc5N)s4)n3)cnc2c1.CNC(=O)c1ccc(Nc2nc(-c3c(C)nc4c(OC)cccn34)cs2)s1.CNC(=O)c1ccc(Nc2nc(-c3c(C)nc4cccc(OC)n34)cs2)s1
InChIInChI=1S/3C24H23N7OS2.2C18H17N5O2S2/c1-30(2)13-15-6-5-11-31-19(12-26-22(15)31)18-14-33-24(28-18)29-21-10-9-20(34-21)23(32)27-17-8-4-3-7-16(17)25;1-30(2)12-15-7-9-21-26-11-19(31(21)13-15)18-14-33-24(28-18)29-22-10-8-20(34-22)23(32)27-17-6-4-3-5-16(17)25;1-30(2)13-15-9-10-31-19(12-26-21(31)11-15)18-14-33-24(28-18)29-22-8-7-20(34-22)23(32)27-17-6-4-3-5-16(17)25;1-10-15(23-8-4-5-12(25-3)16(23)20-10)11-9-26-18(21-11)22-14-7-6-13(27-14)17(24)19-2;1-10-16(23-13(20-10)5-4-6-15(23)25-3)11-9-26-18(21-11)22-14-8-7-12(27-14)17(24)19-2/h3-12,14H,13,25H2,1-2H3,(H,27,32)(H,28,29);3-11,13-14H,12,25H2,1-2H3,(H,27,32)(H,28,29);3-12,14H,13,25H2,1-2H3,(H,27,32)(H,28,29);2*4-9H,1-3H3,(H,19,24)(H,21,22)
InChIKeyGEXMOXDKDIDMAJ-UHFFFAOYSA-N
XLogP23.36
TPSA462.84 Ų
H-Bond Donors13
H-Bond Acceptors43
Rotatable Bonds31
Heavy Atoms156
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002267.89
LogP ≤ 523.36
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(2-aminophenyl)-5-[[4-[6-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[8-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;5-[[4-(5-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide;5-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-5-[[4-[6-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[8-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;5-[[4-(5-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide;5-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-(2-aminophenyl)-5-[[4-[6-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[8-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;5-[[4-(5-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide;5-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide (CID 158235573) is N-(2-aminophenyl)-5-[[4-[6-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[8-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;5-[[4-(5-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide;5-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-5-[[4-[6-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[8-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;5-[[4-(5-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide;5-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-5-[[4-[6-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[8-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;5-[[4-(5-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide;5-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide is CN(C)Cc1ccc2ncc(-c3csc(Nc4ccc(C(=O)Nc5ccccc5N)s4)n3)n2c1.CN(C)Cc1cccn2c(-c3csc(Nc4ccc(C(=O)Nc5ccccc5N)s4)n3)cnc12.CN(C)Cc1ccn2c(-c3csc(Nc4ccc(C(=O)Nc5ccccc5N)s4)n3)cnc2c1.CNC(=O)c1ccc(Nc2nc(-c3c(C)nc4c(OC)cccn34)cs2)s1.CNC(=O)c1ccc(Nc2nc(-c3c(C)nc4cccc(OC)n34)cs2)s1.
What is the InChIKey of N-(2-aminophenyl)-5-[[4-[6-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[8-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;5-[[4-(5-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide;5-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide?
The InChIKey is GEXMOXDKDIDMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C24H23N7OS2.2C18H17N5O2S2/c1-30(2)13-15-6-5-11-31-19(12-26-22(15)31)18-14-33-24(28-18)29-21-10-9-20(34-21)23(32)27-17-8-4-3-7-16(17)25;1-30(2)12-15-7-9-21-26-11-19(31(21)13-15)18-14-33-24(28-18)29-22-10-8-20(34-22)23(32)27-17-6-4-3-5-16(17)25;1-30(2)13-15-9-10-31-19(12-26-21(31)11-15)18-14-33-24(28-18)29-22-8-7-20(34-22)23(32)27-17-6-4-3-5-16(17)25;1-10-15(23-8-4-5-12(25-3)16(23)20-10)11-9-26-18(21-11)22-14-7-6-13(27-14)17(24)19-2;1-10-16(23-13(20-10)5-4-6-15(23)25-3)11-9-26-18(21-11)22-14-8-7-12(27-14)17(24)19-2/h3-12,14H,13,25H2,1-2H3,(H,27,32)(H,28,29);3-11,13-14H,12,25H2,1-2H3,(H,27,32)(H,28,29);3-12,14H,13,25H2,1-2H3,(H,27,32)(H,28,29);2*4-9H,1-3H3,(H,19,24)(H,21,22).
What are the key properties of N-(2-aminophenyl)-5-[[4-[6-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[8-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;5-[[4-(5-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide;5-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide?
N-(2-aminophenyl)-5-[[4-[6-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[8-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;5-[[4-(5-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide;5-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide has a molecular weight of 2267.89 g/mol, XLogP of 23.36, 31 rotatable bonds, 13 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-5-[[4-[6-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[8-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;5-[[4-(5-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide;5-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 158235573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).