4-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-1,3-thiazol-2-amine

C12H14FN3S — CID 84761962

IUPAC4-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-1,3-thiazol-2-amine
SMILESNCc1csc(NCCc2ccc(F)cc2)n1
InChIInChI=1S/C12H14FN3S/c13-10-3-1-9(2-4-10)5-6-15-12-16-11(7-14)8-17-12/h1-4,8H,5-7,14H2,(H,15,16)
InChIKeyPBRNTBBLLUMVRY-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.40
Rot. Bonds5

About 4-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-1,3-thiazol-2-amine

4-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-1,3-thiazol-2-amine (PubChem CID 84761962) has the molecular formula C12H14FN3S and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-1,3-thiazol-2-amine
PubChem CID84761962
Molecular FormulaC12H14FN3S
Molecular Weight251.33 g/mol
Exact Mass251.09
IUPAC Name4-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-1,3-thiazol-2-amine
SMILESNCc1csc(NCCc2ccc(F)cc2)n1
InChIInChI=1S/C12H14FN3S/c13-10-3-1-9(2-4-10)5-6-15-12-16-11(7-14)8-17-12/h1-4,8H,5-7,14H2,(H,15,16)
InChIKeyPBRNTBBLLUMVRY-UHFFFAOYSA-N
XLogP2.40
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazol-2-amine
CID 84761943
4-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine
CID 12790440
4-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazol-2-amine
CID 28710980
3-[[4-(aminomethyl)-1,3-thiazol-2-yl]amino]propan-1-ol
CID 84761905
N-[2-(4-aminophenyl)ethyl]-4-methyl-1,3-thiazol-2-amine
CID 61221194
4-(aminomethyl)-N-benzyl-1,3-thiazol-2-amine
CID 84684942
methyl 2-[2-[2-(4-methoxyphenyl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 78915824
N-[4-(aminomethyl)-1,3-thiazol-2-yl]-N',N'-diethylethane-1,2-diamine
CID 84761941
N-[4-(aminomethyl)-1,3-thiazol-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 84761937
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-ethyl-1,3-thiazol-2-amine
CID 62962812
N-[2-[4-[2-[(4-fluorophenyl)methylamino]-1,3-thiazol-4-yl]phenyl]ethyl]methanesulfonamide
CID 24603213
4-chloro-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine
CID 83153478

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-1,3-thiazol-2-amine (CID 84761962) is 4-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-1,3-thiazol-2-amine is NCc1csc(NCCc2ccc(F)cc2)n1.
What is the InChIKey of 4-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is PBRNTBBLLUMVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3S/c13-10-3-1-9(2-4-10)5-6-15-12-16-11(7-14)8-17-12/h1-4,8H,5-7,14H2,(H,15,16).
What are the key properties of 4-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-1,3-thiazol-2-amine?
4-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 251.33 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 84761962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).