1-(5-chloro-2-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine

C11H10ClFN2S — CID 104589055

IUPAC1-(5-chloro-2-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
SMILESFc1ccc(Cl)cc1CNCc1cncs1
InChIInChI=1S/C11H10ClFN2S/c12-9-1-2-11(13)8(3-9)4-14-5-10-6-15-7-16-10/h1-3,6-7,14H,4-5H2
InChIKeyZAKRIIWQHAWDJQ-UHFFFAOYSA-N
MW256.73 g/mol
LogP3.23
Rot. Bonds4

About 1-(5-chloro-2-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine

1-(5-chloro-2-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine (PubChem CID 104589055) has the molecular formula C11H10ClFN2S and a molecular weight of 256.73 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
PubChem CID104589055
Molecular FormulaC11H10ClFN2S
Molecular Weight256.73 g/mol
Exact Mass256.02
IUPAC Name1-(5-chloro-2-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
SMILESFc1ccc(Cl)cc1CNCc1cncs1
InChIInChI=1S/C11H10ClFN2S/c12-9-1-2-11(13)8(3-9)4-14-5-10-6-15-7-16-10/h1-3,6-7,14H,4-5H2
InChIKeyZAKRIIWQHAWDJQ-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

Analyze 1-(5-chloro-2-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine with MolForge

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

Launch Full Analysis

Related Compounds

4-fluoro-2-[(1,3-thiazol-5-ylmethylamino)methyl]phenol
CID 104589056
1-(5-chloro-2-fluorophenyl)-N-(chloromethyl)methanamine
CID 115263054
1-(2-bromophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 62758358
[2-(5-chloro-2-fluorophenyl)-1-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 103053663
N-[(3-fluoro-2-pyridinyl)methyl]-1-(1,3-thiazol-5-yl)methanamine
CID 115757243
5-chloro-2-methyl-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62758474
7-chloro-2-[(1,3-thiazol-5-ylmethylamino)methyl]-3H-quinazolin-4-one
CID 136993685
1-(5-chloro-2-fluorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 114886134
1-(5-chloro-2-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 114842312
1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 62758662
1-(2,3-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 104589113
4-chloro-2-[[(5-ethyl-1,3-thiazol-2-yl)methylamino]methyl]phenol
CID 103701993

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine (CID 104589055) is 1-(5-chloro-2-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine is Fc1ccc(Cl)cc1CNCc1cncs1.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
The InChIKey is ZAKRIIWQHAWDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2S/c12-9-1-2-11(13)8(3-9)4-14-5-10-6-15-7-16-10/h1-3,6-7,14H,4-5H2.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
1-(5-chloro-2-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)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 1-(5-chloro-2-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine is sourced from PubChem (CID 104589055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).