2-[5-(9H-carbazol-1-yl)-2-methoxyphenyl]-1,3-benzothiazole

C26H18N2OS — CID 141250783

IUPAC2-[5-(9H-carbazol-1-yl)-2-methoxyphenyl]-1,3-benzothiazole
SMILESCOc1ccc(-c2cccc3c2[nH]c2ccccc23)cc1-c1nc2ccccc2s1
InChIInChI=1S/C26H18N2OS/c1-29-23-14-13-16(15-20(23)26-28-22-11-4-5-12-24(22)30-26)17-8-6-9-19-18-7-2-3-10-21(18)27-25(17)19/h2-15,27H,1H3
InChIKeyHVLNKCOQWGMPON-UHFFFAOYSA-N
MW406.51 g/mol
LogP7.27
Rot. Bonds3

About 2-[5-(9H-carbazol-1-yl)-2-methoxyphenyl]-1,3-benzothiazole

2-[5-(9H-carbazol-1-yl)-2-methoxyphenyl]-1,3-benzothiazole (PubChem CID 141250783) has the molecular formula C26H18N2OS and a molecular weight of 406.51 g/mol. Its IUPAC name is 2-[5-(9H-carbazol-1-yl)-2-methoxyphenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[5-(9H-carbazol-1-yl)-2-methoxyphenyl]-1,3-benzothiazole
PubChem CID141250783
Molecular FormulaC26H18N2OS
Molecular Weight406.51 g/mol
Exact Mass406.11
IUPAC Name2-[5-(9H-carbazol-1-yl)-2-methoxyphenyl]-1,3-benzothiazole
SMILESCOc1ccc(-c2cccc3c2[nH]c2ccccc23)cc1-c1nc2ccccc2s1
InChIInChI=1S/C26H18N2OS/c1-29-23-14-13-16(15-20(23)26-28-22-11-4-5-12-24(22)30-26)17-8-6-9-19-18-7-2-3-10-21(18)27-25(17)19/h2-15,27H,1H3
InChIKeyHVLNKCOQWGMPON-UHFFFAOYSA-N
XLogP7.27
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.51
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[5-(9H-carbazol-1-yl)-2-methoxyphenyl]-1,3-benzothiazole 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-(1,3-benzothiazol-2-yl)-4-(9H-carbazol-1-yl)phenol
CID 141250779
2-(5-methoxynaphthalen-1-yl)-1,3-benzothiazole
CID 142679253
2-(2-methoxy-4-phenylphenyl)-1,3-benzothiazole
CID 58511530
2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole
CID 160986314
2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole
CID 627307
2-[2-methoxy-5-(2-phenylethynyl)phenyl]-1,3-benzothiazole
CID 132509007
3-(1,3-benzothiazol-2-yl)-4-methoxybenzaldehyde
CID 163198854
4-(1,3-benzothiazol-2-yl)-2-[5-(1,3-benzothiazol-2-yl)-2-hydroxy-3-methoxyphenyl]-6-methoxyphenol
CID 135767121
2-(2-ethoxy-3-methoxyphenyl)-1,3-benzothiazole
CID 16766166
2-[4-(3-phenylphenyl)naphthalen-1-yl]-1,3-benzothiazole
CID 171056561
1-[4-[4-[4-[4-(9H-carbazol-1-yl)phenyl]phenyl]phenyl]phenyl]-9H-carbazole
CID 175958773
1-(4-dibenzothiophen-2-ylphenyl)-9H-carbazole
CID 142569531

Frequently Asked Questions

What is the IUPAC name of 2-[5-(9H-carbazol-1-yl)-2-methoxyphenyl]-1,3-benzothiazole?
The IUPAC name of 2-[5-(9H-carbazol-1-yl)-2-methoxyphenyl]-1,3-benzothiazole (CID 141250783) is 2-[5-(9H-carbazol-1-yl)-2-methoxyphenyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[5-(9H-carbazol-1-yl)-2-methoxyphenyl]-1,3-benzothiazole?
The canonical SMILES for 2-[5-(9H-carbazol-1-yl)-2-methoxyphenyl]-1,3-benzothiazole is COc1ccc(-c2cccc3c2[nH]c2ccccc23)cc1-c1nc2ccccc2s1.
What is the InChIKey of 2-[5-(9H-carbazol-1-yl)-2-methoxyphenyl]-1,3-benzothiazole?
The InChIKey is HVLNKCOQWGMPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2OS/c1-29-23-14-13-16(15-20(23)26-28-22-11-4-5-12-24(22)30-26)17-8-6-9-19-18-7-2-3-10-21(18)27-25(17)19/h2-15,27H,1H3.
What are the key properties of 2-[5-(9H-carbazol-1-yl)-2-methoxyphenyl]-1,3-benzothiazole?
2-[5-(9H-carbazol-1-yl)-2-methoxyphenyl]-1,3-benzothiazole has a molecular weight of 406.51 g/mol, XLogP of 7.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(9H-carbazol-1-yl)-2-methoxyphenyl]-1,3-benzothiazole is sourced from PubChem (CID 141250783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).