N-[(2-chloro-6-fluorophenyl)methyl]-1-(1,3-thiazol-4-yl)methanamine

C11H10ClFN2S — CID 62049913

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-1-(1,3-thiazol-4-yl)methanamine
SMILESFc1cccc(Cl)c1CNCc1cscn1
InChIInChI=1S/C11H10ClFN2S/c12-10-2-1-3-11(13)9(10)5-14-4-8-6-16-7-15-8/h1-3,6-7,14H,4-5H2
InChIKeyOFDFVGOYTFRTKU-UHFFFAOYSA-N
MW256.73 g/mol
LogP3.23
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)methyl]-1-(1,3-thiazol-4-yl)methanamine

N-[(2-chloro-6-fluorophenyl)methyl]-1-(1,3-thiazol-4-yl)methanamine (PubChem CID 62049913) has the molecular formula C11H10ClFN2S and a molecular weight of 256.73 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-1-(1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-1-(1,3-thiazol-4-yl)methanamine
PubChem CID62049913
Molecular FormulaC11H10ClFN2S
Molecular Weight256.73 g/mol
Exact Mass256.02
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-1-(1,3-thiazol-4-yl)methanamine
SMILESFc1cccc(Cl)c1CNCc1cscn1
InChIInChI=1S/C11H10ClFN2S/c12-10-2-1-3-11(13)9(10)5-14-4-8-6-16-7-15-8/h1-3,6-7,14H,4-5H2
InChIKeyOFDFVGOYTFRTKU-UHFFFAOYSA-N
XLogP3.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1-(1,3-thiazol-4-yl)methanamine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1-(1,3-thiazol-4-yl)methanamine (CID 62049913) is N-[(2-chloro-6-fluorophenyl)methyl]-1-(1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-1-(1,3-thiazol-4-yl)methanamine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-1-(1,3-thiazol-4-yl)methanamine is Fc1cccc(Cl)c1CNCc1cscn1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-1-(1,3-thiazol-4-yl)methanamine?
The InChIKey is OFDFVGOYTFRTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2S/c12-10-2-1-3-11(13)9(10)5-14-4-8-6-16-7-15-8/h1-3,6-7,14H,4-5H2.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-1-(1,3-thiazol-4-yl)methanamine?
N-[(2-chloro-6-fluorophenyl)methyl]-1-(1,3-thiazol-4-yl)methanamine has a molecular weight of 256.73 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-1-(1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 62049913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).