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

C14H15FN2S — CID 64975581

IUPAC2-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESNC1CCCc2sc(Cc3ccccc3F)nc21
InChIInChI=1S/C14H15FN2S/c15-10-5-2-1-4-9(10)8-13-17-14-11(16)6-3-7-12(14)18-13/h1-2,4-5,11H,3,6-8,16H2
InChIKeyYHGXEXKTRISSGW-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.21
Rot. Bonds2

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

2-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (PubChem CID 64975581) has the molecular formula C14H15FN2S and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
PubChem CID64975581
Molecular FormulaC14H15FN2S
Molecular Weight262.35 g/mol
Exact Mass262.09
IUPAC Name2-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESNC1CCCc2sc(Cc3ccccc3F)nc21
InChIInChI=1S/C14H15FN2S/c15-10-5-2-1-4-9(10)8-13-17-14-11(16)6-3-7-12(14)18-13/h1-2,4-5,11H,3,6-8,16H2
InChIKeyYHGXEXKTRISSGW-UHFFFAOYSA-N
XLogP3.21
TPSA38.91 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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (CID 64975581) is 2-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is NC1CCCc2sc(Cc3ccccc3F)nc21.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The InChIKey is YHGXEXKTRISSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2S/c15-10-5-2-1-4-9(10)8-13-17-14-11(16)6-3-7-12(14)18-13/h1-2,4-5,11H,3,6-8,16H2.
What are the key properties of 2-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
2-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine has a molecular weight of 262.35 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is sourced from PubChem (CID 64975581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).