4-phenylsulfanyl-5-thiophen-2-yl-1,2,3-benzothiadiazole

C16H10N2S3 — CID 173112699

IUPAC4-phenylsulfanyl-5-thiophen-2-yl-1,2,3-benzothiadiazole
SMILESc1ccc(Sc2c(-c3cccs3)ccc3snnc23)cc1
InChIInChI=1S/C16H10N2S3/c1-2-5-11(6-3-1)20-16-12(13-7-4-10-19-13)8-9-14-15(16)17-18-21-14/h1-10H
InChIKeyZVMQVGLTGVKOBI-UHFFFAOYSA-N
MW326.47 g/mol
LogP5.57
Rot. Bonds3

About 4-phenylsulfanyl-5-thiophen-2-yl-1,2,3-benzothiadiazole

4-phenylsulfanyl-5-thiophen-2-yl-1,2,3-benzothiadiazole (PubChem CID 173112699) has the molecular formula C16H10N2S3 and a molecular weight of 326.47 g/mol. Its IUPAC name is 4-phenylsulfanyl-5-thiophen-2-yl-1,2,3-benzothiadiazole.

Molecular Properties

Compound Name4-phenylsulfanyl-5-thiophen-2-yl-1,2,3-benzothiadiazole
PubChem CID173112699
Molecular FormulaC16H10N2S3
Molecular Weight326.47 g/mol
Exact Mass326.00
IUPAC Name4-phenylsulfanyl-5-thiophen-2-yl-1,2,3-benzothiadiazole
SMILESc1ccc(Sc2c(-c3cccs3)ccc3snnc23)cc1
InChIInChI=1S/C16H10N2S3/c1-2-5-11(6-3-1)20-16-12(13-7-4-10-19-13)8-9-14-15(16)17-18-21-14/h1-10H
InChIKeyZVMQVGLTGVKOBI-UHFFFAOYSA-N
XLogP5.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.47
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-phenylsulfanyl-5-thiophen-2-yl-1,2,3-benzothiadiazole 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

4-fluoro-5,6-dithiophen-2-yl-1,2,3-benzothiadiazole
CID 141278365
2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 824513
dibenzothiophene;thieno[3,2-e][1,2,3]benzothiadiazole
CID 161323465
4,6-dithiophen-2-ylthieno[3,4-d]thiadiazole
CID 130318353
3,6-dithiophen-2-ylbenzene-1,2-diol
CID 122606222
3-phenyl-4-thiophen-2-yl-1,2-thiazole
CID 141162564
2-thiophen-2-ylcyclohepta-2,4,6-trien-1-one
CID 142643105
2-[1-(2-thiophen-2-ylnaphthalen-1-yl)naphthalen-2-yl]thiophene
CID 71444357
2-phenylsulfanyl-1,3-thiazole
CID 606073
CID 174709455
CID 174709455
2-[2-(2-phenylethyl)phenyl]thiophene
CID 68606171
naphtho[2,1-e][1,2,3]benzothiadiazole
CID 88532442

Frequently Asked Questions

What is the IUPAC name of 4-phenylsulfanyl-5-thiophen-2-yl-1,2,3-benzothiadiazole?
The IUPAC name of 4-phenylsulfanyl-5-thiophen-2-yl-1,2,3-benzothiadiazole (CID 173112699) is 4-phenylsulfanyl-5-thiophen-2-yl-1,2,3-benzothiadiazole.
What is the SMILES notation for 4-phenylsulfanyl-5-thiophen-2-yl-1,2,3-benzothiadiazole?
The canonical SMILES for 4-phenylsulfanyl-5-thiophen-2-yl-1,2,3-benzothiadiazole is c1ccc(Sc2c(-c3cccs3)ccc3snnc23)cc1.
What is the InChIKey of 4-phenylsulfanyl-5-thiophen-2-yl-1,2,3-benzothiadiazole?
The InChIKey is ZVMQVGLTGVKOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2S3/c1-2-5-11(6-3-1)20-16-12(13-7-4-10-19-13)8-9-14-15(16)17-18-21-14/h1-10H.
What are the key properties of 4-phenylsulfanyl-5-thiophen-2-yl-1,2,3-benzothiadiazole?
4-phenylsulfanyl-5-thiophen-2-yl-1,2,3-benzothiadiazole has a molecular weight of 326.47 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylsulfanyl-5-thiophen-2-yl-1,2,3-benzothiadiazole is sourced from PubChem (CID 173112699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).