5-[[2-(3-fluorophenyl)ethyl-propylamino]methyl]-1,3-thiazol-2-amine

C15H20FN3S — CID 120900579

IUPAC5-[[2-(3-fluorophenyl)ethyl-propylamino]methyl]-1,3-thiazol-2-amine
SMILESCCCN(CCc1cccc(F)c1)Cc1cnc(N)s1
InChIInChI=1S/C15H20FN3S/c1-2-7-19(11-14-10-18-15(17)20-14)8-6-12-4-3-5-13(16)9-12/h3-5,9-10H,2,6-8,11H2,1H3,(H2,17,18)
InChIKeyGZESTDISDYGZGR-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.32
Rot. Bonds7

About 5-[[2-(3-fluorophenyl)ethyl-propylamino]methyl]-1,3-thiazol-2-amine

5-[[2-(3-fluorophenyl)ethyl-propylamino]methyl]-1,3-thiazol-2-amine (PubChem CID 120900579) has the molecular formula C15H20FN3S and a molecular weight of 293.41 g/mol. Its IUPAC name is 5-[[2-(3-fluorophenyl)ethyl-propylamino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[2-(3-fluorophenyl)ethyl-propylamino]methyl]-1,3-thiazol-2-amine
PubChem CID120900579
Molecular FormulaC15H20FN3S
Molecular Weight293.41 g/mol
Exact Mass293.14
IUPAC Name5-[[2-(3-fluorophenyl)ethyl-propylamino]methyl]-1,3-thiazol-2-amine
SMILESCCCN(CCc1cccc(F)c1)Cc1cnc(N)s1
InChIInChI=1S/C15H20FN3S/c1-2-7-19(11-14-10-18-15(17)20-14)8-6-12-4-3-5-13(16)9-12/h3-5,9-10H,2,6-8,11H2,1H3,(H2,17,18)
InChIKeyGZESTDISDYGZGR-UHFFFAOYSA-N
XLogP3.32
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-1,3-thiazol-5-yl)methyl-[(3-fluorophenyl)methyl]amino]ethanol;hydrochloride
CID 120905497
N'-[(3-fluorophenyl)methyl]-N'-propylethane-1,2-diamine
CID 61350683
N-(2-chloroethyl)-N-[(3-fluorophenyl)methyl]propan-1-amine
CID 63386534
5-[[ethyl(2-thiophen-2-ylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898756
5-[[(3,5-difluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903914
5-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine
CID 79772147
1-[2-(3-fluorophenyl)ethyl]-1-methylhydrazine
CID 105433799
5-[[methyl-[2-(3-nitrophenyl)ethyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120905813
N-[2-(3-fluorophenyl)ethyl]-N-propylhydroxylamine
CID 91048549
5-[[cyclohexylmethyl(propyl)amino]methyl]-1,3-thiazol-2-amine
CID 120899012
(2S)-N-[(2-amino-1,3-thiazol-5-yl)methyl]-2-[[(2S)-2-(diethylamino)propanoyl]amino]-3-(3-fluorophenyl)propanamide
CID 52919943
5-[[(3,4-difluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898326

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(3-fluorophenyl)ethyl-propylamino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[2-(3-fluorophenyl)ethyl-propylamino]methyl]-1,3-thiazol-2-amine (CID 120900579) is 5-[[2-(3-fluorophenyl)ethyl-propylamino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[2-(3-fluorophenyl)ethyl-propylamino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[2-(3-fluorophenyl)ethyl-propylamino]methyl]-1,3-thiazol-2-amine is CCCN(CCc1cccc(F)c1)Cc1cnc(N)s1.
What is the InChIKey of 5-[[2-(3-fluorophenyl)ethyl-propylamino]methyl]-1,3-thiazol-2-amine?
The InChIKey is GZESTDISDYGZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3S/c1-2-7-19(11-14-10-18-15(17)20-14)8-6-12-4-3-5-13(16)9-12/h3-5,9-10H,2,6-8,11H2,1H3,(H2,17,18).
What are the key properties of 5-[[2-(3-fluorophenyl)ethyl-propylamino]methyl]-1,3-thiazol-2-amine?
5-[[2-(3-fluorophenyl)ethyl-propylamino]methyl]-1,3-thiazol-2-amine has a molecular weight of 293.41 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(3-fluorophenyl)ethyl-propylamino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120900579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).