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

C13H16FN3S — CID 28710980

IUPAC4-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazol-2-amine
SMILESNCCc1csc(NCCc2ccccc2F)n1
InChIInChI=1S/C13H16FN3S/c14-12-4-2-1-3-10(12)6-8-16-13-17-11(5-7-15)9-18-13/h1-4,9H,5-8,15H2,(H,16,17)
InChIKeyBTNLMYWMZWVRHA-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.44
Rot. Bonds6

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

4-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazol-2-amine (PubChem CID 28710980) has the molecular formula C13H16FN3S and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazol-2-amine
PubChem CID28710980
Molecular FormulaC13H16FN3S
Molecular Weight265.36 g/mol
Exact Mass265.10
IUPAC Name4-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazol-2-amine
SMILESNCCc1csc(NCCc2ccccc2F)n1
InChIInChI=1S/C13H16FN3S/c14-12-4-2-1-3-10(12)6-8-16-13-17-11(5-7-15)9-18-13/h1-4,9H,5-8,15H2,(H,16,17)
InChIKeyBTNLMYWMZWVRHA-UHFFFAOYSA-N
XLogP2.44
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[2-(2-fluorophenyl)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 80575585
4-(2-aminoethyl)-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 28710900
4-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-1,3-thiazol-2-amine
CID 84761962
2-[2-[[4-(2-aminoethyl)-1,3-thiazol-2-yl]amino]ethoxy]ethanol
CID 84761983
4-(2-aminoethyl)-N-(2-bromophenyl)-1,3-thiazol-2-amine
CID 28711493
N-[4-(2-aminoethyl)-1,3-thiazol-2-yl]-N',N'-diethylbutane-1,4-diamine
CID 84761995
4-(2-aminoethyl)-N-(3-propan-2-yloxypropyl)-1,3-thiazol-2-amine
CID 84761990
2-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618131
N-[2-(2-fluorophenyl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 110332712
1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-2-methylguanidine
CID 111361625
3-[2-[[4-(2-aminoethyl)-1,3-thiazol-2-yl]amino]ethyl]-1,3-thiazolidine-2,4-dione
CID 84762001
1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111361624

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazol-2-amine (CID 28710980) is 4-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazol-2-amine is NCCc1csc(NCCc2ccccc2F)n1.
What is the InChIKey of 4-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is BTNLMYWMZWVRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3S/c14-12-4-2-1-3-10(12)6-8-16-13-17-11(5-7-15)9-18-13/h1-4,9H,5-8,15H2,(H,16,17).
What are the key properties of 4-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazol-2-amine?
4-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 265.36 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 28710980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).