2-[1-(1-benzofuran-2-yl)-4-(furan-2-yl)-1-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]-1,3-benzothiazole

C34H22N4O2S2 — CID 141286711

IUPAC2-[1-(1-benzofuran-2-yl)-4-(furan-2-yl)-1-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]-1,3-benzothiazole
SMILESc1c[nH]c(C2=NC(c3ccco3)=C(c3nc4ccccc4s3)S2(c2cc3ccccc3[nH]2)c2cc3ccccc3o2)c1
InChIInChI=1S/C34H22N4O2S2/c1-3-11-23-21(9-1)19-29(36-23)42(30-20-22-10-2-5-14-26(22)40-30)32(33-37-24-12-4-6-16-28(24)41-33)31(27-15-8-18-39-27)38-34(42)25-13-7-17-35-25/h1-20,35-36H
InChIKeyKPDXIRZBPYVPRS-UHFFFAOYSA-N
MW582.71 g/mol
LogP9.65
Rot. Bonds5

About 2-[1-(1-benzofuran-2-yl)-4-(furan-2-yl)-1-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]-1,3-benzothiazole

2-[1-(1-benzofuran-2-yl)-4-(furan-2-yl)-1-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]-1,3-benzothiazole (PubChem CID 141286711) has the molecular formula C34H22N4O2S2 and a molecular weight of 582.71 g/mol. Its IUPAC name is 2-[1-(1-benzofuran-2-yl)-4-(furan-2-yl)-1-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[1-(1-benzofuran-2-yl)-4-(furan-2-yl)-1-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]-1,3-benzothiazole
PubChem CID141286711
Molecular FormulaC34H22N4O2S2
Molecular Weight582.71 g/mol
Exact Mass582.12
IUPAC Name2-[1-(1-benzofuran-2-yl)-4-(furan-2-yl)-1-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]-1,3-benzothiazole
SMILESc1c[nH]c(C2=NC(c3ccco3)=C(c3nc4ccccc4s3)S2(c2cc3ccccc3[nH]2)c2cc3ccccc3o2)c1
InChIInChI=1S/C34H22N4O2S2/c1-3-11-23-21(9-1)19-29(36-23)42(30-20-22-10-2-5-14-26(22)40-30)32(33-37-24-12-4-6-16-28(24)41-33)31(27-15-8-18-39-27)38-34(42)25-13-7-17-35-25/h1-20,35-36H
InChIKeyKPDXIRZBPYVPRS-UHFFFAOYSA-N
XLogP9.65
TPSA83.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.71
LogP ≤ 59.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-(1-benzofuran-2-yl)-4-(furan-2-yl)-1-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]-1,3-benzothiazole with MolForge

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Related Compounds

N-(2-(1H-indol-3-yl)ethyl)-4-((4-(furan-2-yl)thiazol-2-yl)methoxy)benzamide
CID 49670129
1-benzofuran;1-benzothiophene;1H-indole
CID 67462302
2-[5-[(dimethylamino)methyl]furan-3-yl]-N-(1H-indol-5-yl)thieno[2,3-b]pyridin-4-amine
CID 69474845
1-benzofuran;1,3-benzothiazole;1-benzothiophene;1H-indole;2H-isoindole
CID 69494068
1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohex-3-en-1-amine
CID 123653830
2-[1-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-5-(furan-2-yl)-4-(1H-indol-2-yl)-6-thiophen-2-ylpyrimidin-2-yl]-1,3-thiazole
CID 141121032
5-(furan-2-yl)-1-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-3-thiophen-2-ylindolizine
CID 141136937
2-[2-(1-benzofuran-2-yl)-4-(1H-pyrrol-2-yl)-1-benzothiophen-3-yl]-1,3-benzothiazole
CID 141142491
4-[2-(1-benzofuran-2-yl)-3-(2-benzofuran-1-yl)-6-(1,3-benzothiazol-2-yl)-5-(1H-pyrrol-2-yl)phenyl]-1,2,3-benzothiadiazole
CID 141147143
2-[6-(furan-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-1-thiophen-2-yl-2H-pyrazin-5-yl]-1H-indole
CID 141180704
2-(1-benzofuran-2-yl)-3-[5-(1-benzofuran-2-yl)-1-(1-benzothiophen-2-yl)-3-(2H-isoindol-1-yl)-2-benzothiophen-4-yl]-1H-indole
CID 141186218
2-[4-(1-benzofuran-2-yl)-2,3-bis(furan-2-yl)-6-(1H-pyrrol-2-yl)-5,6-dithiophen-2-ylcyclohexa-1,3-dien-1-yl]-1H-indole
CID 141204914

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-benzofuran-2-yl)-4-(furan-2-yl)-1-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]-1,3-benzothiazole?
The IUPAC name of 2-[1-(1-benzofuran-2-yl)-4-(furan-2-yl)-1-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]-1,3-benzothiazole (CID 141286711) is 2-[1-(1-benzofuran-2-yl)-4-(furan-2-yl)-1-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[1-(1-benzofuran-2-yl)-4-(furan-2-yl)-1-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[1-(1-benzofuran-2-yl)-4-(furan-2-yl)-1-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]-1,3-benzothiazole is c1c[nH]c(C2=NC(c3ccco3)=C(c3nc4ccccc4s3)S2(c2cc3ccccc3[nH]2)c2cc3ccccc3o2)c1.
What is the InChIKey of 2-[1-(1-benzofuran-2-yl)-4-(furan-2-yl)-1-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]-1,3-benzothiazole?
The InChIKey is KPDXIRZBPYVPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N4O2S2/c1-3-11-23-21(9-1)19-29(36-23)42(30-20-22-10-2-5-14-26(22)40-30)32(33-37-24-12-4-6-16-28(24)41-33)31(27-15-8-18-39-27)38-34(42)25-13-7-17-35-25/h1-20,35-36H.
What are the key properties of 2-[1-(1-benzofuran-2-yl)-4-(furan-2-yl)-1-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]-1,3-benzothiazole?
2-[1-(1-benzofuran-2-yl)-4-(furan-2-yl)-1-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]-1,3-benzothiazole has a molecular weight of 582.71 g/mol, XLogP of 9.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-benzofuran-2-yl)-4-(furan-2-yl)-1-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]-1,3-benzothiazole is sourced from PubChem (CID 141286711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).