1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]-2-methylpropan-1-amine

C16H19ClFN3S — CID 25189625

IUPAC1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)C(NCc1snnc1C1CC1)c1c(F)cccc1Cl
InChIInChI=1S/C16H19ClFN3S/c1-9(2)15(14-11(17)4-3-5-12(14)18)19-8-13-16(10-6-7-10)20-21-22-13/h3-5,9-10,15,19H,6-8H2,1-2H3
InChIKeyZVUOMKWQPFREKG-UHFFFAOYSA-N
MW339.87 g/mol
LogP4.69
Rot. Bonds6

About 1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]-2-methylpropan-1-amine

1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]-2-methylpropan-1-amine (PubChem CID 25189625) has the molecular formula C16H19ClFN3S and a molecular weight of 339.87 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]-2-methylpropan-1-amine
PubChem CID25189625
Molecular FormulaC16H19ClFN3S
Molecular Weight339.87 g/mol
Exact Mass339.10
IUPAC Name1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)C(NCc1snnc1C1CC1)c1c(F)cccc1Cl
InChIInChI=1S/C16H19ClFN3S/c1-9(2)15(14-11(17)4-3-5-12(14)18)19-8-13-16(10-6-7-10)20-21-22-13/h3-5,9-10,15,19H,6-8H2,1-2H3
InChIKeyZVUOMKWQPFREKG-UHFFFAOYSA-N
XLogP4.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]-2-methylpropan-1-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 1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]-2-methylpropan-1-amine (CID 25189625) is 1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]-2-methylpropan-1-amine is CC(C)C(NCc1snnc1C1CC1)c1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is ZVUOMKWQPFREKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN3S/c1-9(2)15(14-11(17)4-3-5-12(14)18)19-8-13-16(10-6-7-10)20-21-22-13/h3-5,9-10,15,19H,6-8H2,1-2H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]-2-methylpropan-1-amine?
1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 339.87 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 25189625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).