methyl 5-[4-methoxycarbonyl-2-[5-(4-pyridin-2-ylphenyl)furan-2-yl]-1,3-thiazol-5-yl]-2-[5-(4-pyridin-2-ylphenyl)furan-2-yl]-1,3-thiazole-4-carboxylate

C40H26N4O6S2 — CID 122378752

IUPACmethyl 5-[4-methoxycarbonyl-2-[5-(4-pyridin-2-ylphenyl)furan-2-yl]-1,3-thiazol-5-yl]-2-[5-(4-pyridin-2-ylphenyl)furan-2-yl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(-c3ccc(-c4ccccn4)cc3)o2)sc1-c1sc(-c2ccc(-c3ccc(-c4ccccn4)cc3)o2)nc1C(=O)OC
InChIInChI=1S/C40H26N4O6S2/c1-47-39(45)33-35(51-37(43-33)31-19-17-29(49-31)25-13-9-23(10-14-25)27-7-3-5-21-41-27)36-34(40(46)48-2)44-38(52-36)32-20-18-30(50-32)26-15-11-24(12-16-26)28-8-4-6-22-42-28/h3-22H,1-2H3
InChIKeyNCFMKUNBSXUCKU-UHFFFAOYSA-N
MW722.80 g/mol
LogP9.82
Rot. Bonds9

About methyl 5-[4-methoxycarbonyl-2-[5-(4-pyridin-2-ylphenyl)furan-2-yl]-1,3-thiazol-5-yl]-2-[5-(4-pyridin-2-ylphenyl)furan-2-yl]-1,3-thiazole-4-carboxylate

methyl 5-[4-methoxycarbonyl-2-[5-(4-pyridin-2-ylphenyl)furan-2-yl]-1,3-thiazol-5-yl]-2-[5-(4-pyridin-2-ylphenyl)furan-2-yl]-1,3-thiazole-4-carboxylate (PubChem CID 122378752) has the molecular formula C40H26N4O6S2 and a molecular weight of 722.80 g/mol. Its IUPAC name is methyl 5-[4-methoxycarbonyl-2-[5-(4-pyridin-2-ylphenyl)furan-2-yl]-1,3-thiazol-5-yl]-2-[5-(4-pyridin-2-ylphenyl)furan-2-yl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-[4-methoxycarbonyl-2-[5-(4-pyridin-2-ylphenyl)furan-2-yl]-1,3-thiazol-5-yl]-2-[5-(4-pyridin-2-ylphenyl)furan-2-yl]-1,3-thiazole-4-carboxylate
PubChem CID122378752
Molecular FormulaC40H26N4O6S2
Molecular Weight722.80 g/mol
Exact Mass722.13
IUPAC Namemethyl 5-[4-methoxycarbonyl-2-[5-(4-pyridin-2-ylphenyl)furan-2-yl]-1,3-thiazol-5-yl]-2-[5-(4-pyridin-2-ylphenyl)furan-2-yl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(-c3ccc(-c4ccccn4)cc3)o2)sc1-c1sc(-c2ccc(-c3ccc(-c4ccccn4)cc3)o2)nc1C(=O)OC
InChIInChI=1S/C40H26N4O6S2/c1-47-39(45)33-35(51-37(43-33)31-19-17-29(49-31)25-13-9-23(10-14-25)27-7-3-5-21-41-27)36-34(40(46)48-2)44-38(52-36)32-20-18-30(50-32)26-15-11-24(12-16-26)28-8-4-6-22-42-28/h3-22H,1-2H3
InChIKeyNCFMKUNBSXUCKU-UHFFFAOYSA-N
XLogP9.82
TPSA130.44 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500722.80
LogP ≤ 59.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze methyl 5-[4-methoxycarbonyl-2-[5-(4-pyridin-2-ylphenyl)furan-2-yl]-1,3-thiazol-5-yl]-2-[5-(4-pyridin-2-ylphenyl)furan-2-yl]-1,3-thiazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(Furan-2-yl)-6-[4-(1,3-thiazol-2-yl)phenyl]-4-pyridinyl]-1,3-thiazole
CID 145983842
Myc-IN-2
CID 145985805
2-(3-Pyridyl)-5-isobutyl-4-[2-(5-phosphono)furanyl]thiazole
CID 50993447
US20230348450, Example 56
CID 162757332
US20230348450, Example 72
CID 162757124
US20230348450, Example 69
CID 162757028
2-[5-(4-Fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanone
CID 130257012
US20230348450, Example 57
CID 162757393
US20230348450, Example 58
CID 162757416
5-Methyl-4-[4-[5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-phenyl-1,3-thiazol-5-yl]-2-phenyl-1,3-oxazole
CID 102458611
4-(3-Methyl-1-benzofuran-2-yl)-2-pyridin-2-yl-1,3-thiazole
CID 8964207
[2-[5-(2-Methylpropyl)-2-pyridin-3-yl-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid
CID 22280497

Frequently Asked Questions

What is the IUPAC name of methyl 5-[4-methoxycarbonyl-2-[5-(4-pyridin-2-ylphenyl)furan-2-yl]-1,3-thiazol-5-yl]-2-[5-(4-pyridin-2-ylphenyl)furan-2-yl]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-[4-methoxycarbonyl-2-[5-(4-pyridin-2-ylphenyl)furan-2-yl]-1,3-thiazol-5-yl]-2-[5-(4-pyridin-2-ylphenyl)furan-2-yl]-1,3-thiazole-4-carboxylate (CID 122378752) is methyl 5-[4-methoxycarbonyl-2-[5-(4-pyridin-2-ylphenyl)furan-2-yl]-1,3-thiazol-5-yl]-2-[5-(4-pyridin-2-ylphenyl)furan-2-yl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-[4-methoxycarbonyl-2-[5-(4-pyridin-2-ylphenyl)furan-2-yl]-1,3-thiazol-5-yl]-2-[5-(4-pyridin-2-ylphenyl)furan-2-yl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-[4-methoxycarbonyl-2-[5-(4-pyridin-2-ylphenyl)furan-2-yl]-1,3-thiazol-5-yl]-2-[5-(4-pyridin-2-ylphenyl)furan-2-yl]-1,3-thiazole-4-carboxylate is COC(=O)c1nc(-c2ccc(-c3ccc(-c4ccccn4)cc3)o2)sc1-c1sc(-c2ccc(-c3ccc(-c4ccccn4)cc3)o2)nc1C(=O)OC.
What is the InChIKey of methyl 5-[4-methoxycarbonyl-2-[5-(4-pyridin-2-ylphenyl)furan-2-yl]-1,3-thiazol-5-yl]-2-[5-(4-pyridin-2-ylphenyl)furan-2-yl]-1,3-thiazole-4-carboxylate?
The InChIKey is NCFMKUNBSXUCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4O6S2/c1-47-39(45)33-35(51-37(43-33)31-19-17-29(49-31)25-13-9-23(10-14-25)27-7-3-5-21-41-27)36-34(40(46)48-2)44-38(52-36)32-20-18-30(50-32)26-15-11-24(12-16-26)28-8-4-6-22-42-28/h3-22H,1-2H3.
What are the key properties of methyl 5-[4-methoxycarbonyl-2-[5-(4-pyridin-2-ylphenyl)furan-2-yl]-1,3-thiazol-5-yl]-2-[5-(4-pyridin-2-ylphenyl)furan-2-yl]-1,3-thiazole-4-carboxylate?
methyl 5-[4-methoxycarbonyl-2-[5-(4-pyridin-2-ylphenyl)furan-2-yl]-1,3-thiazol-5-yl]-2-[5-(4-pyridin-2-ylphenyl)furan-2-yl]-1,3-thiazole-4-carboxylate has a molecular weight of 722.80 g/mol, XLogP of 9.82, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[4-methoxycarbonyl-2-[5-(4-pyridin-2-ylphenyl)furan-2-yl]-1,3-thiazol-5-yl]-2-[5-(4-pyridin-2-ylphenyl)furan-2-yl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 122378752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).