4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-1,3-thiazol-2-amine

C13H16FN3S — CID 65482707

IUPAC4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-1,3-thiazol-2-amine
SMILESCN(CCc1csc(N)n1)Cc1ccc(F)cc1
InChIInChI=1S/C13H16FN3S/c1-17(7-6-12-9-18-13(15)16-12)8-10-2-4-11(14)5-3-10/h2-5,9H,6-8H2,1H3,(H2,15,16)
InChIKeyCIKPPPQVYXOHAF-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.54
Rot. Bonds5

About 4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-1,3-thiazol-2-amine

4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-1,3-thiazol-2-amine (PubChem CID 65482707) has the molecular formula C13H16FN3S and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-1,3-thiazol-2-amine
PubChem CID65482707
Molecular FormulaC13H16FN3S
Molecular Weight265.36 g/mol
Exact Mass265.10
IUPAC Name4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-1,3-thiazol-2-amine
SMILESCN(CCc1csc(N)n1)Cc1ccc(F)cc1
InChIInChI=1S/C13H16FN3S/c1-17(7-6-12-9-18-13(15)16-12)8-10-2-4-11(14)5-3-10/h2-5,9H,6-8H2,1H3,(H2,15,16)
InChIKeyCIKPPPQVYXOHAF-UHFFFAOYSA-N
XLogP2.54
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[(4-methoxyphenyl)methyl-methylamino]ethyl]-1,3-thiazol-2-amine
CID 65483096
4-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine
CID 65483093
2-(2-amino-1,3-thiazol-4-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 62799940
4-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine
CID 65484461
4-[2-[methoxy(methyl)amino]ethyl]-1,3-thiazol-2-amine
CID 114396487
N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-1-(4-fluorophenyl)-N-methylmethanamine
CID 61413078
4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine
CID 61414352
4-[3-[(4-fluorophenyl)methyl-methylamino]propyl]aniline
CID 115341840
4-[2-[methyl(2-methylbutan-2-yl)amino]ethyl]-1,3-thiazol-2-amine
CID 65484860
4-(2-fluoroethyl)-1,3-thiazol-2-amine
CID 83854193
4-[2-[bis(2-methylpropyl)amino]ethyl]-1,3-thiazol-2-amine
CID 65485437
N'-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 65485637

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-1,3-thiazol-2-amine (CID 65482707) is 4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-1,3-thiazol-2-amine is CN(CCc1csc(N)n1)Cc1ccc(F)cc1.
What is the InChIKey of 4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-1,3-thiazol-2-amine?
The InChIKey is CIKPPPQVYXOHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3S/c1-17(7-6-12-9-18-13(15)16-12)8-10-2-4-11(14)5-3-10/h2-5,9H,6-8H2,1H3,(H2,15,16).
What are the key properties of 4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-1,3-thiazol-2-amine?
4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-1,3-thiazol-2-amine has a molecular weight of 265.36 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 65482707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).