2-[7-(furan-2-yl)-5-(2H-pyran-2-yl)-8-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-6-thiophen-2-ylnaphthalen-2-yl]-1,3-thiazole

C33H21N3O2S3 — CID 141287363

IUPAC2-[7-(furan-2-yl)-5-(2H-pyran-2-yl)-8-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-6-thiophen-2-ylnaphthalen-2-yl]-1,3-thiazole
SMILESC1=COC(c2c(-c3cccs3)c(-c3ccco3)c(-c3ccc[nH]3)c3c(-c4ccsn4)c(-c4nccs4)ccc23)C=C1
InChIInChI=1S/C33H21N3O2S3/c1-2-15-37-24(7-1)28-20-10-11-21(33-35-14-19-40-33)27(23-12-18-41-36-23)29(20)30(22-6-3-13-34-22)31(25-8-4-16-38-25)32(28)26-9-5-17-39-26/h1-19,24,34H
InChIKeyATTSSDXDEJVHOK-UHFFFAOYSA-N
MW587.75 g/mol
LogP10.21
Rot. Bonds6

About 2-[7-(furan-2-yl)-5-(2H-pyran-2-yl)-8-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-6-thiophen-2-ylnaphthalen-2-yl]-1,3-thiazole

2-[7-(furan-2-yl)-5-(2H-pyran-2-yl)-8-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-6-thiophen-2-ylnaphthalen-2-yl]-1,3-thiazole (PubChem CID 141287363) has the molecular formula C33H21N3O2S3 and a molecular weight of 587.75 g/mol. Its IUPAC name is 2-[7-(furan-2-yl)-5-(2H-pyran-2-yl)-8-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-6-thiophen-2-ylnaphthalen-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[7-(furan-2-yl)-5-(2H-pyran-2-yl)-8-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-6-thiophen-2-ylnaphthalen-2-yl]-1,3-thiazole
PubChem CID141287363
Molecular FormulaC33H21N3O2S3
Molecular Weight587.75 g/mol
Exact Mass587.08
IUPAC Name2-[7-(furan-2-yl)-5-(2H-pyran-2-yl)-8-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-6-thiophen-2-ylnaphthalen-2-yl]-1,3-thiazole
SMILESC1=COC(c2c(-c3cccs3)c(-c3ccco3)c(-c3ccc[nH]3)c3c(-c4ccsn4)c(-c4nccs4)ccc23)C=C1
InChIInChI=1S/C33H21N3O2S3/c1-2-15-37-24(7-1)28-20-10-11-21(33-35-14-19-40-33)27(23-12-18-41-36-23)29(20)30(22-6-3-13-34-22)31(25-8-4-16-38-25)32(28)26-9-5-17-39-26/h1-19,24,34H
InChIKeyATTSSDXDEJVHOK-UHFFFAOYSA-N
XLogP10.21
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.75
LogP ≤ 510.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[7-(furan-2-yl)-5-(2H-pyran-2-yl)-8-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-6-thiophen-2-ylnaphthalen-2-yl]-1,3-thiazole 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-[3-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-ylphenyl]-1H-indole
CID 90755845
4-[4-deuterio-3-[3-(1H-pyrrol-2-yl)furan-2-yl]thiophen-2-yl]-1,3-thiazole
CID 91804953
2-[3-(1-benzofuran-2-yl)-4-(furan-2-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1-benzothiophen-5-yl]-1H-indole
CID 141050660
3-[5-(2-benzofuran-1-yl)-2-(1-benzothiophen-2-yl)-6-(furan-2-yl)-3-(1H-indol-2-yl)-4-(2H-isoindol-1-yl)phenyl]-1,2-thiazole
CID 141347789
2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157431953
2-[4-[3,5-bis[4-(furan-2-yl)thiophen-3-yl]phenyl]thiophen-3-yl]furan;1-[4-[3,5-bis(4-pyrrol-1-ylthiophen-3-yl)phenyl]thiophen-3-yl]pyrrole;2-[4-[3,5-bis[4-(1H-pyrrol-2-yl)thiophen-3-yl]phenyl]thiophen-3-yl]-1H-pyrrole;3-[3,5-bis(4-thiophen-3-ylthiophen-3-yl)phenyl]-4-thiophen-3-ylthiophene
CID 157582055
1,3-Di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene
CID 157829572
benzylbenzene;4-(furan-2-yl)pyridine;1-naphthalen-1-ylnaphthalene;phenoxybenzene;2-phenylethynylbenzene;2-phenylfuran;2-phenyl-1H-pyrrole;2-phenylthiophene;stilbene
CID 158007994
2-[2-[3,5-bis[3-(furan-2-yl)thiophen-2-yl]phenyl]thiophen-3-yl]furan;2-[3,5-bis(3-phenylfuran-2-yl)phenyl]-3-phenylfuran;2-[3,5-bis(3-phenyl-1H-pyrrol-2-yl)phenyl]-3-phenyl-1H-pyrrole;2-[3,5-bis(3-phenylthiophen-2-yl)phenyl]-3-phenylthiophene;2-[3,5-bis(3-thiophen-2-ylthiophen-2-yl)phenyl]-3-thiophen-2-ylthiophene
CID 158279309
benzylbenzene;1,1'-biphenyl;1,4-diphenylbenzene;1-naphthalen-1-ylnaphthalene;2-phenylethynylbenzene;2-phenylfuran;1-phenylnaphthalene;2-phenylpyridine;2-phenyl-1H-pyrrole;2-phenylthiophene;stilbene
CID 158396263
2-(2-methylpropyl)-3-propan-2-ylfuran;3-(2-methylpropyl)-2-propan-2-ylfuran;3-(2-methylpropyl)-4-propan-2-ylfuran;4-(2-methylpropyl)-5-propan-2-yl-2H-pyran;5-(2-methylpropyl)-4-propan-2-yl-2H-pyran;5-(2-methylpropyl)-6-propan-2-yl-2H-pyran;6-(2-methylpropyl)-5-propan-2-yl-2H-pyran;2-(2-methylpropyl)-3-propan-2-yl-1H-pyrrole;3-(2-methylpropyl)-2-propan-2-yl-1H-pyrrole;3-(2-methylpropyl)-4-propan-2-yl-1H-pyrrole;2-(2-methylpropyl)-3-propan-2-ylthiophene;3-(2-methylpropyl)-2-propan-2-ylthiophene;3-(2-methylpropyl)-4-propan-2-ylthiophene;3-(2-methylpropyl)-4-propan-2-yl-2H-thiopyran;4-(2-methylpropyl)-3-propan-2-yl-2H-thiopyran;5-(2-methylpropyl)-6-propan-2-yl-2H-thiopyran;6-(2-methylpropyl)-5-propan-2-yl-2H-thiopyran
CID 158443467
11H-benzo[a]fluorene;11H-benzo[b]fluorene;7H-benzo[c]fluorene;fluoren-9-one;furan;8H-indeno[1,2-a]anthracene;pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;1H-pyrrole;1,3-thiazole;thiophene
CID 158654155

Frequently Asked Questions

What is the IUPAC name of 2-[7-(furan-2-yl)-5-(2H-pyran-2-yl)-8-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-6-thiophen-2-ylnaphthalen-2-yl]-1,3-thiazole?
The IUPAC name of 2-[7-(furan-2-yl)-5-(2H-pyran-2-yl)-8-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-6-thiophen-2-ylnaphthalen-2-yl]-1,3-thiazole (CID 141287363) is 2-[7-(furan-2-yl)-5-(2H-pyran-2-yl)-8-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-6-thiophen-2-ylnaphthalen-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[7-(furan-2-yl)-5-(2H-pyran-2-yl)-8-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-6-thiophen-2-ylnaphthalen-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[7-(furan-2-yl)-5-(2H-pyran-2-yl)-8-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-6-thiophen-2-ylnaphthalen-2-yl]-1,3-thiazole is C1=COC(c2c(-c3cccs3)c(-c3ccco3)c(-c3ccc[nH]3)c3c(-c4ccsn4)c(-c4nccs4)ccc23)C=C1.
What is the InChIKey of 2-[7-(furan-2-yl)-5-(2H-pyran-2-yl)-8-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-6-thiophen-2-ylnaphthalen-2-yl]-1,3-thiazole?
The InChIKey is ATTSSDXDEJVHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N3O2S3/c1-2-15-37-24(7-1)28-20-10-11-21(33-35-14-19-40-33)27(23-12-18-41-36-23)29(20)30(22-6-3-13-34-22)31(25-8-4-16-38-25)32(28)26-9-5-17-39-26/h1-19,24,34H.
What are the key properties of 2-[7-(furan-2-yl)-5-(2H-pyran-2-yl)-8-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-6-thiophen-2-ylnaphthalen-2-yl]-1,3-thiazole?
2-[7-(furan-2-yl)-5-(2H-pyran-2-yl)-8-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-6-thiophen-2-ylnaphthalen-2-yl]-1,3-thiazole has a molecular weight of 587.75 g/mol, XLogP of 10.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(furan-2-yl)-5-(2H-pyran-2-yl)-8-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-6-thiophen-2-ylnaphthalen-2-yl]-1,3-thiazole is sourced from PubChem (CID 141287363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).