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

C13H13ClFN3S — CID 25189824

IUPAC1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]methanamine
SMILESFc1cccc(Cl)c1CNCc1snnc1C1CC1
InChIInChI=1S/C13H13ClFN3S/c14-10-2-1-3-11(15)9(10)6-16-7-12-13(8-4-5-8)17-18-19-12/h1-3,8,16H,4-7H2
InChIKeyFOGJSIJKTTXUNQ-UHFFFAOYSA-N
MW297.79 g/mol
LogP3.50
Rot. Bonds5

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

1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]methanamine (PubChem CID 25189824) has the molecular formula C13H13ClFN3S and a molecular weight of 297.79 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]methanamine
PubChem CID25189824
Molecular FormulaC13H13ClFN3S
Molecular Weight297.79 g/mol
Exact Mass297.05
IUPAC Name1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]methanamine
SMILESFc1cccc(Cl)c1CNCc1snnc1C1CC1
InChIInChI=1S/C13H13ClFN3S/c14-10-2-1-3-11(15)9(10)6-16-7-12-13(8-4-5-8)17-18-19-12/h1-3,8,16H,4-7H2
InChIKeyFOGJSIJKTTXUNQ-UHFFFAOYSA-N
XLogP3.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]methanamine (CID 25189824) is 1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]methanamine is Fc1cccc(Cl)c1CNCc1snnc1C1CC1.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]methanamine?
The InChIKey is FOGJSIJKTTXUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3S/c14-10-2-1-3-11(15)9(10)6-16-7-12-13(8-4-5-8)17-18-19-12/h1-3,8,16H,4-7H2.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]methanamine?
1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]methanamine has a molecular weight of 297.79 g/mol, XLogP of 3.50, 5 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]methanamine is sourced from PubChem (CID 25189824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).