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

C11H10ClFN2S — CID 114452746

IUPAC1-(3-chloro-5-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESFc1cc(Cl)cc(CNCc2nccs2)c1
InChIInChI=1S/C11H10ClFN2S/c12-9-3-8(4-10(13)5-9)6-14-7-11-15-1-2-16-11/h1-5,14H,6-7H2
InChIKeyFUAUURAMIYOJLU-UHFFFAOYSA-N
MW256.73 g/mol
LogP3.23
Rot. Bonds4

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

1-(3-chloro-5-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine (PubChem CID 114452746) has the molecular formula C11H10ClFN2S and a molecular weight of 256.73 g/mol. Its IUPAC name is 1-(3-chloro-5-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3-chloro-5-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
PubChem CID114452746
Molecular FormulaC11H10ClFN2S
Molecular Weight256.73 g/mol
Exact Mass256.02
IUPAC Name1-(3-chloro-5-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESFc1cc(Cl)cc(CNCc2nccs2)c1
InChIInChI=1S/C11H10ClFN2S/c12-9-3-8(4-10(13)5-9)6-14-7-11-15-1-2-16-11/h1-5,14H,6-7H2
InChIKeyFUAUURAMIYOJLU-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-(3-chloro-5-fluorophenyl)-N-(1,3-thiazol-2-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

1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 115282781
1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 60962189
1-(3,4-difluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine;hydrochloride
CID 155977994
1-phenyl-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 4777619
N-[(3-chloro-5-fluorophenyl)methyl]-1-(5-chlorothiophen-2-yl)methanamine
CID 114452910
1-(2-bromo-5-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 66159186
1-(3-chloro-5-fluorophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine
CID 114452944
N-[(3-chloro-5-fluorophenyl)methyl]hydroxylamine
CID 114453047
5-chloro-N-(1,3-thiazol-2-ylmethyl)pyrimidin-2-amine
CID 79556675
1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 78921086
N-[(3-chloro-5-fluorophenyl)methyl]-1-[4-(difluoromethoxy)phenyl]methanamine
CID 114452225
1-cyclopenta-1,4-dien-1-yl-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 91928127

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The IUPAC name of 1-(3-chloro-5-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine (CID 114452746) is 1-(3-chloro-5-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(3-chloro-5-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-(3-chloro-5-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine is Fc1cc(Cl)cc(CNCc2nccs2)c1.
What is the InChIKey of 1-(3-chloro-5-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The InChIKey is FUAUURAMIYOJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2S/c12-9-3-8(4-10(13)5-9)6-14-7-11-15-1-2-16-11/h1-5,14H,6-7H2.
What are the key properties of 1-(3-chloro-5-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
1-(3-chloro-5-fluorophenyl)-N-(1,3-thiazol-2-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-(3-chloro-5-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine is sourced from PubChem (CID 114452746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).