4-(3-bromo-1-benzothiophen-2-yl)-5-methoxy-2-phenyl-1,3-thiazole

C18H12BrNOS2 — CID 144905413

IUPAC4-(3-bromo-1-benzothiophen-2-yl)-5-methoxy-2-phenyl-1,3-thiazole
SMILESCOc1sc(-c2ccccc2)nc1-c1sc2ccccc2c1Br
InChIInChI=1S/C18H12BrNOS2/c1-21-18-15(20-17(23-18)11-7-3-2-4-8-11)16-14(19)12-9-5-6-10-13(12)22-16/h2-10H,1H3
InChIKeySWMQTLQTYRHRKK-UHFFFAOYSA-N
MW402.34 g/mol
LogP6.46
Rot. Bonds3

About 4-(3-bromo-1-benzothiophen-2-yl)-5-methoxy-2-phenyl-1,3-thiazole

4-(3-bromo-1-benzothiophen-2-yl)-5-methoxy-2-phenyl-1,3-thiazole (PubChem CID 144905413) has the molecular formula C18H12BrNOS2 and a molecular weight of 402.34 g/mol. Its IUPAC name is 4-(3-bromo-1-benzothiophen-2-yl)-5-methoxy-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-(3-bromo-1-benzothiophen-2-yl)-5-methoxy-2-phenyl-1,3-thiazole
PubChem CID144905413
Molecular FormulaC18H12BrNOS2
Molecular Weight402.34 g/mol
Exact Mass400.95
IUPAC Name4-(3-bromo-1-benzothiophen-2-yl)-5-methoxy-2-phenyl-1,3-thiazole
SMILESCOc1sc(-c2ccccc2)nc1-c1sc2ccccc2c1Br
InChIInChI=1S/C18H12BrNOS2/c1-21-18-15(20-17(23-18)11-7-3-2-4-8-11)16-14(19)12-9-5-6-10-13(12)22-16/h2-10H,1H3
InChIKeySWMQTLQTYRHRKK-UHFFFAOYSA-N
XLogP6.46
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.34
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(3-bromo-1-benzothiophen-2-yl)-5-methoxy-2-phenyl-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

5-methoxy-2-phenyl-4-[3-(2-phenyl-1,3-thiazol-4-yl)-1-benzothiophen-2-yl]-1,3-thiazole
CID 102492833
4-[3-(2-methoxy-1-benzothiophen-3-yl)-1-benzothiophen-2-yl]-2-phenyl-1,3-thiazole
CID 122379704
5-methoxy-4-methyl-2-phenyl-1,3-thiazole
CID 116887501
4-methoxy-2,5-diphenyl-1,3-thiazole
CID 15691804
2-phenyl-5-pyridin-4-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole
CID 141261492
3-(4-methoxyphenyl)sulfonyl-2-phenyl-1-benzothiophene
CID 22768855
4-[2-(2,5-dimethylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methoxy-2-phenyl-1,3-thiazole
CID 139229276
3-bromo-2-(2-bromophenyl)-1-benzothiophene
CID 102054316
1-[3-(3-bromo-1-benzothiophen-2-yl)phenyl]ethanone
CID 132969062
2-phenyl-3-(2-phenyl-1-benzothiophen-3-yl)-1-benzothiophene
CID 15625929
(4-bromophenyl)-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]methanone
CID 100980640
[2-(4-bromophenyl)-1-benzothiophen-3-yl]-(4-methoxyphenyl)methanone
CID 22753336

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-1-benzothiophen-2-yl)-5-methoxy-2-phenyl-1,3-thiazole?
The IUPAC name of 4-(3-bromo-1-benzothiophen-2-yl)-5-methoxy-2-phenyl-1,3-thiazole (CID 144905413) is 4-(3-bromo-1-benzothiophen-2-yl)-5-methoxy-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-(3-bromo-1-benzothiophen-2-yl)-5-methoxy-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-(3-bromo-1-benzothiophen-2-yl)-5-methoxy-2-phenyl-1,3-thiazole is COc1sc(-c2ccccc2)nc1-c1sc2ccccc2c1Br.
What is the InChIKey of 4-(3-bromo-1-benzothiophen-2-yl)-5-methoxy-2-phenyl-1,3-thiazole?
The InChIKey is SWMQTLQTYRHRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrNOS2/c1-21-18-15(20-17(23-18)11-7-3-2-4-8-11)16-14(19)12-9-5-6-10-13(12)22-16/h2-10H,1H3.
What are the key properties of 4-(3-bromo-1-benzothiophen-2-yl)-5-methoxy-2-phenyl-1,3-thiazole?
4-(3-bromo-1-benzothiophen-2-yl)-5-methoxy-2-phenyl-1,3-thiazole has a molecular weight of 402.34 g/mol, XLogP of 6.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-1-benzothiophen-2-yl)-5-methoxy-2-phenyl-1,3-thiazole is sourced from PubChem (CID 144905413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).