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

C17H21FN2S — CID 62080080

IUPAC2-[(2-fluorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCCNC1CCCc2nc(Cc3ccccc3F)sc21
InChIInChI=1S/C17H21FN2S/c1-2-10-19-14-8-5-9-15-17(14)21-16(20-15)11-12-6-3-4-7-13(12)18/h3-4,6-7,14,19H,2,5,8-11H2,1H3
InChIKeyJVQDHJFXGQPWQO-UHFFFAOYSA-N
MW304.43 g/mol
LogP4.25
Rot. Bonds5

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

2-[(2-fluorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 62080080) has the molecular formula C17H21FN2S and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID62080080
Molecular FormulaC17H21FN2S
Molecular Weight304.43 g/mol
Exact Mass304.14
IUPAC Name2-[(2-fluorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCCNC1CCCc2nc(Cc3ccccc3F)sc21
InChIInChI=1S/C17H21FN2S/c1-2-10-19-14-8-5-9-15-17(14)21-16(20-15)11-12-6-3-4-7-13(12)18/h3-4,6-7,14,19H,2,5,8-11H2,1H3
InChIKeyJVQDHJFXGQPWQO-UHFFFAOYSA-N
XLogP4.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2-fluorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 62080080) is 2-[(2-fluorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is CCCNC1CCCc2nc(Cc3ccccc3F)sc21.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is JVQDHJFXGQPWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2S/c1-2-10-19-14-8-5-9-15-17(14)21-16(20-15)11-12-6-3-4-7-13(12)18/h3-4,6-7,14,19H,2,5,8-11H2,1H3.
What are the key properties of 2-[(2-fluorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
2-[(2-fluorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 304.43 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 62080080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).