2-(3-methoxy-4-pyridinyl)-5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazole-4-carboxamide

C23H26N6O3S — CID 71060934

IUPAC2-(3-methoxy-4-pyridinyl)-5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazole-4-carboxamide
SMILESCOc1cnccc1-c1nc(C(N)=O)c(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)s1
InChIInChI=1S/C23H26N6O3S/c1-28-9-11-29(12-10-28)14-15-3-5-16(6-4-15)21(31)27-23-19(20(24)30)26-22(33-23)17-7-8-25-13-18(17)32-2/h3-8,13H,9-12,14H2,1-2H3,(H2,24,30)(H,27,31)
InChIKeyAYUVNFPAFJUWQW-UHFFFAOYSA-N
MW466.57 g/mol
LogP2.31
Rot. Bonds7

About 2-(3-methoxy-4-pyridinyl)-5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazole-4-carboxamide

2-(3-methoxy-4-pyridinyl)-5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazole-4-carboxamide (PubChem CID 71060934) has the molecular formula C23H26N6O3S and a molecular weight of 466.57 g/mol. Its IUPAC name is 2-(3-methoxy-4-pyridinyl)-5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-methoxy-4-pyridinyl)-5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazole-4-carboxamide
PubChem CID71060934
Molecular FormulaC23H26N6O3S
Molecular Weight466.57 g/mol
Exact Mass466.18
IUPAC Name2-(3-methoxy-4-pyridinyl)-5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazole-4-carboxamide
SMILESCOc1cnccc1-c1nc(C(N)=O)c(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)s1
InChIInChI=1S/C23H26N6O3S/c1-28-9-11-29(12-10-28)14-15-3-5-16(6-4-15)21(31)27-23-19(20(24)30)26-22(33-23)17-7-8-25-13-18(17)32-2/h3-8,13H,9-12,14H2,1-2H3,(H2,24,30)(H,27,31)
InChIKeyAYUVNFPAFJUWQW-UHFFFAOYSA-N
XLogP2.31
TPSA113.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.57
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(3-methoxy-4-pyridinyl)-5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

N-[(5,6-dimethoxy-2-pyridinyl)methyl]-4-(3-fluorophenyl)-2-(5-methyl-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 118715608
5-[[4-(Morpholin-4-ylmethyl)benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 71061201
5-[(3,4-Dimethoxybenzoyl)amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 71061044
US9617282, Example 127
CID 86299074
US9617282, Example 128
CID 86299137
US9776991, Example 196
CID 118112559
US10174016, Example 131
CID 121397434
[4-[[2-(4-Methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 39984682
5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]pyridin-3-yl]-2-[2-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 51001839
5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2-fluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 51001946
[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]methanone
CID 66796645
N-(dimethylsulfamoyl)-2-[[3-(3-fluorophenyl)propyl-[1-(5-methoxy-2-pyridinyl)cyclopropanecarbonyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 68106734

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-pyridinyl)-5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3-methoxy-4-pyridinyl)-5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazole-4-carboxamide (CID 71060934) is 2-(3-methoxy-4-pyridinyl)-5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3-methoxy-4-pyridinyl)-5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3-methoxy-4-pyridinyl)-5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazole-4-carboxamide is COc1cnccc1-c1nc(C(N)=O)c(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)s1.
What is the InChIKey of 2-(3-methoxy-4-pyridinyl)-5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazole-4-carboxamide?
The InChIKey is AYUVNFPAFJUWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3S/c1-28-9-11-29(12-10-28)14-15-3-5-16(6-4-15)21(31)27-23-19(20(24)30)26-22(33-23)17-7-8-25-13-18(17)32-2/h3-8,13H,9-12,14H2,1-2H3,(H2,24,30)(H,27,31).
What are the key properties of 2-(3-methoxy-4-pyridinyl)-5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazole-4-carboxamide?
2-(3-methoxy-4-pyridinyl)-5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazole-4-carboxamide has a molecular weight of 466.57 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-pyridinyl)-5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71060934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).