2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-4-pyrimidin-2-yl-6-(1,2-thiazol-3-yl)phenyl]-1,3-thiazole

C35H20N6OS3 — CID 140989710

IUPAC2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-4-pyrimidin-2-yl-6-(1,2-thiazol-3-yl)phenyl]-1,3-thiazole
SMILESc1cnc(-c2c(-c3ncc[nH]3)c(-c3ccsn3)c(-c3nccs3)c(-c3cc4ccccc4s3)c2-c2cc3ccccc3o2)nc1
InChIInChI=1S/C35H20N6OS3/c1-3-8-23-20(6-1)18-24(42-23)28-29(26-19-21-7-2-4-9-25(21)45-26)32(35-40-15-17-43-35)27(22-10-16-44-41-22)30(33-38-13-14-39-33)31(28)34-36-11-5-12-37-34/h1-19H,(H,38,39)
InChIKeyMDBLHXXZCXMXGU-UHFFFAOYSA-N
MW636.79 g/mol
LogP10.08
Rot. Bonds6

About 2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-4-pyrimidin-2-yl-6-(1,2-thiazol-3-yl)phenyl]-1,3-thiazole

2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-4-pyrimidin-2-yl-6-(1,2-thiazol-3-yl)phenyl]-1,3-thiazole (PubChem CID 140989710) has the molecular formula C35H20N6OS3 and a molecular weight of 636.79 g/mol. Its IUPAC name is 2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-4-pyrimidin-2-yl-6-(1,2-thiazol-3-yl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-4-pyrimidin-2-yl-6-(1,2-thiazol-3-yl)phenyl]-1,3-thiazole
PubChem CID140989710
Molecular FormulaC35H20N6OS3
Molecular Weight636.79 g/mol
Exact Mass636.09
IUPAC Name2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-4-pyrimidin-2-yl-6-(1,2-thiazol-3-yl)phenyl]-1,3-thiazole
SMILESc1cnc(-c2c(-c3ncc[nH]3)c(-c3ccsn3)c(-c3nccs3)c(-c3cc4ccccc4s3)c2-c2cc3ccccc3o2)nc1
InChIInChI=1S/C35H20N6OS3/c1-3-8-23-20(6-1)18-24(42-23)28-29(26-19-21-7-2-4-9-25(21)45-26)32(35-40-15-17-43-35)27(22-10-16-44-41-22)30(33-38-13-14-39-33)31(28)34-36-11-5-12-37-34/h1-19H,(H,38,39)
InChIKeyMDBLHXXZCXMXGU-UHFFFAOYSA-N
XLogP10.08
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.79
LogP ≤ 510.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-4-pyrimidin-2-yl-6-(1,2-thiazol-3-yl)phenyl]-1,3-thiazole with MolForge

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Related Compounds

2-[1-(1-benzofuran-2-yl)-7-(2-benzofuran-1-yl)-4-(1-benzothiophen-2-yl)-6-(2H-isoindol-1-yl)-2-benzothiophen-5-yl]-1H-benzimidazole
CID 53825994
2-[3-(furan-2-yl)-2-(5-methyl-1H-imidazol-2-yl)-4-pyridin-2-ylphenyl]-1,3-thiazole
CID 91488740
2-pyrrolidin-2-yl-5-[5-[6-[6-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-11-oxatricyclo[6.2.1.02,7]undeca-1(10),2,4,6,8-pentaen-3-yl]-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]thiophen-2-yl]-1H-imidazole
CID 123886965
5-[2-[4-(1H-imidazol-5-yl)phenyl]thieno[3,2-b]furan-5-yl]-2-pyrrolidin-2-yl-1H-imidazole
CID 129019346
2-[3-(1-benzofuran-2-yl)-1-(1H-imidazol-2-yl)-4-pyrrolidin-1-yl-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-2H-pyridin-2-yl]-1,3-benzothiazole
CID 140992395
2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-thiophen-2-yl-3-pyridinyl]-1,3-thiazole
CID 141017837
3-[3-(1H-benzimidazol-2-yl)-2-(1-benzofuran-2-yl)-4-(1H-indol-2-yl)-5-isoquinolin-1-yl-6-quinolin-2-ylphenyl]-1,2-thiazole
CID 141024628
2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-7-pyrazin-2-yl-1,3-benzothiazole
CID 141050937
2-[2-(1-benzofuran-2-yl)-7-(1H-imidazol-2-yl)-4-pyrazin-2-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-1-benzothiophen-3-yl]-1H-indole
CID 141050962
7-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-5-pyrazin-2-yl-4-pyrimidin-2-yl-1H-benzimidazole
CID 141050966
2-[2-(1-benzofuran-2-yl)-6-(1H-imidazol-2-yl)-3-(1H-pyrazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-1-benzothiophen-7-yl]-1,3-thiazole
CID 141050980
2-[6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-2-pyrazin-2-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)cyclohexa-1,3-dien-1-yl]-1H-indole
CID 141050990

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-4-pyrimidin-2-yl-6-(1,2-thiazol-3-yl)phenyl]-1,3-thiazole?
The IUPAC name of 2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-4-pyrimidin-2-yl-6-(1,2-thiazol-3-yl)phenyl]-1,3-thiazole (CID 140989710) is 2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-4-pyrimidin-2-yl-6-(1,2-thiazol-3-yl)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-4-pyrimidin-2-yl-6-(1,2-thiazol-3-yl)phenyl]-1,3-thiazole?
The canonical SMILES for 2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-4-pyrimidin-2-yl-6-(1,2-thiazol-3-yl)phenyl]-1,3-thiazole is c1cnc(-c2c(-c3ncc[nH]3)c(-c3ccsn3)c(-c3nccs3)c(-c3cc4ccccc4s3)c2-c2cc3ccccc3o2)nc1.
What is the InChIKey of 2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-4-pyrimidin-2-yl-6-(1,2-thiazol-3-yl)phenyl]-1,3-thiazole?
The InChIKey is MDBLHXXZCXMXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H20N6OS3/c1-3-8-23-20(6-1)18-24(42-23)28-29(26-19-21-7-2-4-9-25(21)45-26)32(35-40-15-17-43-35)27(22-10-16-44-41-22)30(33-38-13-14-39-33)31(28)34-36-11-5-12-37-34/h1-19H,(H,38,39).
What are the key properties of 2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-4-pyrimidin-2-yl-6-(1,2-thiazol-3-yl)phenyl]-1,3-thiazole?
2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-4-pyrimidin-2-yl-6-(1,2-thiazol-3-yl)phenyl]-1,3-thiazole has a molecular weight of 636.79 g/mol, XLogP of 10.08, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-4-pyrimidin-2-yl-6-(1,2-thiazol-3-yl)phenyl]-1,3-thiazole is sourced from PubChem (CID 140989710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).