N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine

C12H12ClFN2S — CID 104878345

IUPACN-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
SMILESCC(NCc1ncc(Cl)s1)c1cccc(F)c1
InChIInChI=1S/C12H12ClFN2S/c1-8(9-3-2-4-10(14)5-9)15-7-12-16-6-11(13)17-12/h2-6,8,15H,7H2,1H3
InChIKeyFUIOHIURSMRRKE-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.79
Rot. Bonds4

About N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine

N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine (PubChem CID 104878345) has the molecular formula C12H12ClFN2S and a molecular weight of 270.76 g/mol. Its IUPAC name is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
PubChem CID104878345
Molecular FormulaC12H12ClFN2S
Molecular Weight270.76 g/mol
Exact Mass270.04
IUPAC NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
SMILESCC(NCc1ncc(Cl)s1)c1cccc(F)c1
InChIInChI=1S/C12H12ClFN2S/c1-8(9-3-2-4-10(14)5-9)15-7-12-16-6-11(13)17-12/h2-6,8,15H,7H2,1H3
InChIKeyFUIOHIURSMRRKE-UHFFFAOYSA-N
XLogP3.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(4-chlorophenyl)-N-[(5-chloro-1,3-thiazol-2-yl)methyl]ethanamine
CID 107124106
N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 43182699
(1R)-1-(3-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81369918
(1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 28683186
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 60694693
N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 115761361
N-[(5-chloro-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 66223891
(1S)-1-(3-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81365024
1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
CID 62414083
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 102612860
N-[(2,3-dichlorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 43080559
1-(3-bromophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 113247038

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine?
The IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine (CID 104878345) is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine.
What is the SMILES notation for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine?
The canonical SMILES for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine is CC(NCc1ncc(Cl)s1)c1cccc(F)c1.
What is the InChIKey of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine?
The InChIKey is FUIOHIURSMRRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2S/c1-8(9-3-2-4-10(14)5-9)15-7-12-16-6-11(13)17-12/h2-6,8,15H,7H2,1H3.
What are the key properties of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine?
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine has a molecular weight of 270.76 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 104878345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).