5-methoxy-2-phenyl-4-[3-(2-phenyl-1,3-thiazol-4-yl)-1-benzothiophen-2-yl]-1,3-thiazole

C27H18N2OS3 — CID 102492833

IUPAC5-methoxy-2-phenyl-4-[3-(2-phenyl-1,3-thiazol-4-yl)-1-benzothiophen-2-yl]-1,3-thiazole
SMILESCOc1sc(-c2ccccc2)nc1-c1sc2ccccc2c1-c1csc(-c2ccccc2)n1
InChIInChI=1S/C27H18N2OS3/c1-30-27-23(29-26(33-27)18-12-6-3-7-13-18)24-22(19-14-8-9-15-21(19)32-24)20-16-31-25(28-20)17-10-4-2-5-11-17/h2-16H,1H3
InChIKeyWUORIKRFCMQWIJ-UHFFFAOYSA-N
MW482.66 g/mol
LogP8.49
Rot. Bonds5

About 5-methoxy-2-phenyl-4-[3-(2-phenyl-1,3-thiazol-4-yl)-1-benzothiophen-2-yl]-1,3-thiazole

5-methoxy-2-phenyl-4-[3-(2-phenyl-1,3-thiazol-4-yl)-1-benzothiophen-2-yl]-1,3-thiazole (PubChem CID 102492833) has the molecular formula C27H18N2OS3 and a molecular weight of 482.66 g/mol. Its IUPAC name is 5-methoxy-2-phenyl-4-[3-(2-phenyl-1,3-thiazol-4-yl)-1-benzothiophen-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-methoxy-2-phenyl-4-[3-(2-phenyl-1,3-thiazol-4-yl)-1-benzothiophen-2-yl]-1,3-thiazole
PubChem CID102492833
Molecular FormulaC27H18N2OS3
Molecular Weight482.66 g/mol
Exact Mass482.06
IUPAC Name5-methoxy-2-phenyl-4-[3-(2-phenyl-1,3-thiazol-4-yl)-1-benzothiophen-2-yl]-1,3-thiazole
SMILESCOc1sc(-c2ccccc2)nc1-c1sc2ccccc2c1-c1csc(-c2ccccc2)n1
InChIInChI=1S/C27H18N2OS3/c1-30-27-23(29-26(33-27)18-12-6-3-7-13-18)24-22(19-14-8-9-15-21(19)32-24)20-16-31-25(28-20)17-10-4-2-5-11-17/h2-16H,1H3
InChIKeyWUORIKRFCMQWIJ-UHFFFAOYSA-N
XLogP8.49
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.66
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-methoxy-2-phenyl-4-[3-(2-phenyl-1,3-thiazol-4-yl)-1-benzothiophen-2-yl]-1,3-thiazole with MolForge

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Related Compounds

4-[3-(2-methoxy-1-benzothiophen-3-yl)-1-benzothiophen-2-yl]-2-phenyl-1,3-thiazole
CID 122379704
4-(3-bromo-1-benzothiophen-2-yl)-5-methoxy-2-phenyl-1,3-thiazole
CID 144905413
5-methoxy-4-methyl-2-phenyl-1,3-thiazole
CID 116887501
2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide
CID 171114672
2-phenyl-3-(2-phenyl-1-benzothiophen-3-yl)-1-benzothiophene
CID 15625929
4-methyl-2-phenyl-5-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]-1,3-thiazole
CID 139226873
2-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazole
CID 1147052
2-phenyl-5-pyridin-4-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole
CID 141261492
4-methoxy-2,5-diphenyl-1,3-thiazole
CID 15691804
2-(4-methoxyphenyl)-3-(4-methylphenyl)-1-benzothiophene
CID 102299533
3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1-benzothiophene
CID 71608240
7-methoxy-4-methyl-3-(2-phenyl-1,3-thiazol-4-yl)chromen-2-one
CID 4282806

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-phenyl-4-[3-(2-phenyl-1,3-thiazol-4-yl)-1-benzothiophen-2-yl]-1,3-thiazole?
The IUPAC name of 5-methoxy-2-phenyl-4-[3-(2-phenyl-1,3-thiazol-4-yl)-1-benzothiophen-2-yl]-1,3-thiazole (CID 102492833) is 5-methoxy-2-phenyl-4-[3-(2-phenyl-1,3-thiazol-4-yl)-1-benzothiophen-2-yl]-1,3-thiazole.
What is the SMILES notation for 5-methoxy-2-phenyl-4-[3-(2-phenyl-1,3-thiazol-4-yl)-1-benzothiophen-2-yl]-1,3-thiazole?
The canonical SMILES for 5-methoxy-2-phenyl-4-[3-(2-phenyl-1,3-thiazol-4-yl)-1-benzothiophen-2-yl]-1,3-thiazole is COc1sc(-c2ccccc2)nc1-c1sc2ccccc2c1-c1csc(-c2ccccc2)n1.
What is the InChIKey of 5-methoxy-2-phenyl-4-[3-(2-phenyl-1,3-thiazol-4-yl)-1-benzothiophen-2-yl]-1,3-thiazole?
The InChIKey is WUORIKRFCMQWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N2OS3/c1-30-27-23(29-26(33-27)18-12-6-3-7-13-18)24-22(19-14-8-9-15-21(19)32-24)20-16-31-25(28-20)17-10-4-2-5-11-17/h2-16H,1H3.
What are the key properties of 5-methoxy-2-phenyl-4-[3-(2-phenyl-1,3-thiazol-4-yl)-1-benzothiophen-2-yl]-1,3-thiazole?
5-methoxy-2-phenyl-4-[3-(2-phenyl-1,3-thiazol-4-yl)-1-benzothiophen-2-yl]-1,3-thiazole has a molecular weight of 482.66 g/mol, XLogP of 8.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-phenyl-4-[3-(2-phenyl-1,3-thiazol-4-yl)-1-benzothiophen-2-yl]-1,3-thiazole is sourced from PubChem (CID 102492833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).