5-fluoro-6-methyl-4-thiophen-2-yl-2,1,3-benzothiadiazole

C11H7FN2S2 — CID 170016732

IUPAC5-fluoro-6-methyl-4-thiophen-2-yl-2,1,3-benzothiadiazole
SMILESCc1cc2nsnc2c(-c2cccs2)c1F
InChIInChI=1S/C11H7FN2S2/c1-6-5-7-11(14-16-13-7)9(10(6)12)8-3-2-4-15-8/h2-5H,1H3
InChIKeySIAUKKAFCNJAAR-UHFFFAOYSA-N
MW250.32 g/mol
LogP3.87
Rot. Bonds1

About 5-fluoro-6-methyl-4-thiophen-2-yl-2,1,3-benzothiadiazole

5-fluoro-6-methyl-4-thiophen-2-yl-2,1,3-benzothiadiazole (PubChem CID 170016732) has the molecular formula C11H7FN2S2 and a molecular weight of 250.32 g/mol. Its IUPAC name is 5-fluoro-6-methyl-4-thiophen-2-yl-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name5-fluoro-6-methyl-4-thiophen-2-yl-2,1,3-benzothiadiazole
PubChem CID170016732
Molecular FormulaC11H7FN2S2
Molecular Weight250.32 g/mol
Exact Mass250.00
IUPAC Name5-fluoro-6-methyl-4-thiophen-2-yl-2,1,3-benzothiadiazole
SMILESCc1cc2nsnc2c(-c2cccs2)c1F
InChIInChI=1S/C11H7FN2S2/c1-6-5-7-11(14-16-13-7)9(10(6)12)8-3-2-4-15-8/h2-5H,1H3
InChIKeySIAUKKAFCNJAAR-UHFFFAOYSA-N
XLogP3.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-dimethyl-4,9-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline
CID 50992957
4,9-dimethyl-6,7-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline
CID 164741343
4,9-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline
CID 67384162
2-(2,6-dimethylphenyl)thiophene
CID 58838883
4-(4-methylthiophen-2-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole
CID 91056962
7-methyl-4,9-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline-6-carbonitrile
CID 167190829
5,6-difluoro-4-methyl-2,1,3-benzothiadiazole
CID 137399229
5,6-didodecoxy-4,7-dithiophen-2-yl-2,1,3-benzothiadiazole
CID 102306399
4,7-bis(5-bromothiophen-2-yl)-2,1,3-benzothiadiazole-5,6-diamine;4,7-dithiophen-2-yl-2,1,3-benzothiadiazole-5,6-diamine
CID 157485731
4-fluoro-5,6-dithiophen-2-yl-1,2,3-benzothiadiazole
CID 141278365
2,6-dimethyl-4,8-dithiophen-2-yl-[1,3]thiazolo[5,4-f][1,3]benzothiazole
CID 102344435
9,20-dithiophen-2-yl-4,10,15,21-tetrathia-3,5,14,16-tetrazahexacyclo[10.10.0.02,6.07,11.013,17.018,22]docosa-1(12),2,5,7(11),8,13,16,18(22),19-nonaene
CID 177422656

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-4-thiophen-2-yl-2,1,3-benzothiadiazole?
The IUPAC name of 5-fluoro-6-methyl-4-thiophen-2-yl-2,1,3-benzothiadiazole (CID 170016732) is 5-fluoro-6-methyl-4-thiophen-2-yl-2,1,3-benzothiadiazole.
What is the SMILES notation for 5-fluoro-6-methyl-4-thiophen-2-yl-2,1,3-benzothiadiazole?
The canonical SMILES for 5-fluoro-6-methyl-4-thiophen-2-yl-2,1,3-benzothiadiazole is Cc1cc2nsnc2c(-c2cccs2)c1F.
What is the InChIKey of 5-fluoro-6-methyl-4-thiophen-2-yl-2,1,3-benzothiadiazole?
The InChIKey is SIAUKKAFCNJAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2S2/c1-6-5-7-11(14-16-13-7)9(10(6)12)8-3-2-4-15-8/h2-5H,1H3.
What are the key properties of 5-fluoro-6-methyl-4-thiophen-2-yl-2,1,3-benzothiadiazole?
5-fluoro-6-methyl-4-thiophen-2-yl-2,1,3-benzothiadiazole has a molecular weight of 250.32 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-4-thiophen-2-yl-2,1,3-benzothiadiazole is sourced from PubChem (CID 170016732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).