6-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-benzothiazol-2-amine

C15H13FN2S2 — CID 79127853

IUPAC6-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-benzothiazol-2-amine
SMILESFc1ccc2nc(NC3CCCc4sccc43)sc2c1
InChIInChI=1S/C15H13FN2S2/c16-9-4-5-12-14(8-9)20-15(18-12)17-11-2-1-3-13-10(11)6-7-19-13/h4-8,11H,1-3H2,(H,17,18)
InChIKeyPMAJFYAHZJYBHQ-UHFFFAOYSA-N
MW304.41 g/mol
LogP4.99
Rot. Bonds2

About 6-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-benzothiazol-2-amine

6-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-benzothiazol-2-amine (PubChem CID 79127853) has the molecular formula C15H13FN2S2 and a molecular weight of 304.41 g/mol. Its IUPAC name is 6-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-benzothiazol-2-amine
PubChem CID79127853
Molecular FormulaC15H13FN2S2
Molecular Weight304.41 g/mol
Exact Mass304.05
IUPAC Name6-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-benzothiazol-2-amine
SMILESFc1ccc2nc(NC3CCCc4sccc43)sc2c1
InChIInChI=1S/C15H13FN2S2/c16-9-4-5-12-14(8-9)20-15(18-12)17-11-2-1-3-13-10(11)6-7-19-13/h4-8,11H,1-3H2,(H,17,18)
InChIKeyPMAJFYAHZJYBHQ-UHFFFAOYSA-N
XLogP4.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-benzothiazol-2-amine with MolForge

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Launch Full Analysis

Related Compounds

5-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2,3-dimethylcyclohept-2-ene-1,4-dione
CID 143772250
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 115714273
6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzothiazol-2-amine
CID 78908767
2-methyl-5-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-benzothiazole-5,6-diamine
CID 62841665
1-N-(6-fluoro-1,3-benzothiazol-2-yl)cyclobutane-1,3-diamine
CID 86694226
N-(3-chloro-4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 55122390
N-(2,2-dimethylcyclohexyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 79871977
6-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 62840030
methyl 4-fluoro-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)benzoate
CID 62841436
6-hydrazinyl-2-methylsulfanyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine
CID 80918851
N-(6-fluoro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 4228851
N-(2-cyclobutylethyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 113479111

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-benzothiazol-2-amine (CID 79127853) is 6-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-benzothiazol-2-amine is Fc1ccc2nc(NC3CCCc4sccc43)sc2c1.
What is the InChIKey of 6-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-benzothiazol-2-amine?
The InChIKey is PMAJFYAHZJYBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2S2/c16-9-4-5-12-14(8-9)20-15(18-12)17-11-2-1-3-13-10(11)6-7-19-13/h4-8,11H,1-3H2,(H,17,18).
What are the key properties of 6-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-benzothiazol-2-amine?
6-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-benzothiazol-2-amine has a molecular weight of 304.41 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79127853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).