2-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

C14H15FN2S — CID 64975528

IUPAC2-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCNC1CCCc2sc(-c3ccc(F)cc3)nc21
InChIInChI=1S/C14H15FN2S/c1-16-11-3-2-4-12-13(11)17-14(18-12)9-5-7-10(15)8-6-9/h5-8,11,16H,2-4H2,1H3
InChIKeyFNJAKZCJFIQIFA-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.55
Rot. Bonds2

About 2-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

2-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (PubChem CID 64975528) has the molecular formula C14H15FN2S and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
PubChem CID64975528
Molecular FormulaC14H15FN2S
Molecular Weight262.35 g/mol
Exact Mass262.09
IUPAC Name2-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCNC1CCCc2sc(-c3ccc(F)cc3)nc21
InChIInChI=1S/C14H15FN2S/c1-16-11-3-2-4-12-13(11)17-14(18-12)9-5-7-10(15)8-6-9/h5-8,11,16H,2-4H2,1H3
InChIKeyFNJAKZCJFIQIFA-UHFFFAOYSA-N
XLogP3.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The IUPAC name of 2-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (CID 64975528) is 2-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is CNC1CCCc2sc(-c3ccc(F)cc3)nc21.
What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The InChIKey is FNJAKZCJFIQIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2S/c1-16-11-3-2-4-12-13(11)17-14(18-12)9-5-7-10(15)8-6-9/h5-8,11,16H,2-4H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
2-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine has a molecular weight of 262.35 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is sourced from PubChem (CID 64975528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).