2-N-[(4-fluorophenyl)methyl]-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine

C15H18FN3S — CID 62751052

IUPAC2-N-[(4-fluorophenyl)methyl]-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
SMILESCN(Cc1ccc(F)cc1)c1nc2c(s1)C(N)CCC2
InChIInChI=1S/C15H18FN3S/c1-19(9-10-5-7-11(16)8-6-10)15-18-13-4-2-3-12(17)14(13)20-15/h5-8,12H,2-4,9,17H2,1H3
InChIKeyZLORWEWWXMXOHJ-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.25
Rot. Bonds3

About 2-N-[(4-fluorophenyl)methyl]-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine

2-N-[(4-fluorophenyl)methyl]-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (PubChem CID 62751052) has the molecular formula C15H18FN3S and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-N-[(4-fluorophenyl)methyl]-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine.

Molecular Properties

Compound Name2-N-[(4-fluorophenyl)methyl]-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
PubChem CID62751052
Molecular FormulaC15H18FN3S
Molecular Weight291.39 g/mol
Exact Mass291.12
IUPAC Name2-N-[(4-fluorophenyl)methyl]-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
SMILESCN(Cc1ccc(F)cc1)c1nc2c(s1)C(N)CCC2
InChIInChI=1S/C15H18FN3S/c1-19(9-10-5-7-11(16)8-6-10)15-18-13-4-2-3-12(17)14(13)20-15/h5-8,12H,2-4,9,17H2,1H3
InChIKeyZLORWEWWXMXOHJ-UHFFFAOYSA-N
XLogP3.25
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N-[(4-fluorophenyl)methyl]-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine 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-N-[(4-fluorophenyl)methyl]-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine?
The IUPAC name of 2-N-[(4-fluorophenyl)methyl]-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (CID 62751052) is 2-N-[(4-fluorophenyl)methyl]-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine.
What is the SMILES notation for 2-N-[(4-fluorophenyl)methyl]-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine?
The canonical SMILES for 2-N-[(4-fluorophenyl)methyl]-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine is CN(Cc1ccc(F)cc1)c1nc2c(s1)C(N)CCC2.
What is the InChIKey of 2-N-[(4-fluorophenyl)methyl]-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine?
The InChIKey is ZLORWEWWXMXOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3S/c1-19(9-10-5-7-11(16)8-6-10)15-18-13-4-2-3-12(17)14(13)20-15/h5-8,12H,2-4,9,17H2,1H3.
What are the key properties of 2-N-[(4-fluorophenyl)methyl]-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine?
2-N-[(4-fluorophenyl)methyl]-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine has a molecular weight of 291.39 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-fluorophenyl)methyl]-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine is sourced from PubChem (CID 62751052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).