1-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-2-amine

C12H13FN2S — CID 65017845

IUPAC1-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-2-amine
SMILESNC(Cc1cscn1)Cc1ccccc1F
InChIInChI=1S/C12H13FN2S/c13-12-4-2-1-3-9(12)5-10(14)6-11-7-16-8-15-11/h1-4,7-8,10H,5-6,14H2
InChIKeyNRLKNIJJEMZPQZ-UHFFFAOYSA-N
MW236.32 g/mol
LogP2.39
Rot. Bonds4

About 1-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-2-amine

1-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-2-amine (PubChem CID 65017845) has the molecular formula C12H13FN2S and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-2-amine
PubChem CID65017845
Molecular FormulaC12H13FN2S
Molecular Weight236.32 g/mol
Exact Mass236.08
IUPAC Name1-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-2-amine
SMILESNC(Cc1cscn1)Cc1ccccc1F
InChIInChI=1S/C12H13FN2S/c13-12-4-2-1-3-9(12)5-10(14)6-11-7-16-8-15-11/h1-4,7-8,10H,5-6,14H2
InChIKeyNRLKNIJJEMZPQZ-UHFFFAOYSA-N
XLogP2.39
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-2-amine
CID 65018114
1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)propan-2-amine
CID 113454867
2-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-1-amine
CID 79448591
4-[3-chloro-2-(2-fluorophenyl)propyl]-1,3-thiazole
CID 79454763
2-amino-3-(2-fluorophenyl)propan-1-ol;hydrochloride
CID 3048994
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)propan-2-amine
CID 79820438
[1-amino-2-(1,3-thiazol-4-yl)ethyl] formate
CID 174645355
(3R)-3-amino-4-(2-fluorophenyl)butanamide
CID 143290720
1-(2-fluorophenyl)-3-(2-nitrophenyl)propan-2-amine
CID 65017800
N-[2-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propyl]cyclopropanamine
CID 79439453
1-(5-bromo-3-pyridinyl)-3-(2-fluorophenyl)propan-2-amine
CID 104801584
1-(4-chlorophenoxy)-3-(2-fluorophenyl)propan-2-amine
CID 105090089

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-2-amine (CID 65017845) is 1-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-2-amine is NC(Cc1cscn1)Cc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-2-amine?
The InChIKey is NRLKNIJJEMZPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2S/c13-12-4-2-1-3-9(12)5-10(14)6-11-7-16-8-15-11/h1-4,7-8,10H,5-6,14H2.
What are the key properties of 1-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-2-amine?
1-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-2-amine has a molecular weight of 236.32 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-2-amine is sourced from PubChem (CID 65017845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).