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

C12H13FN2S — CID 10489998

IUPAC(2S)-1-(2-fluorophenyl)-2-(1,3-thiazol-2-yl)propan-2-amine
SMILESC[C@](N)(Cc1ccccc1F)c1nccs1
InChIInChI=1S/C12H13FN2S/c1-12(14,11-15-6-7-16-11)8-9-4-2-3-5-10(9)13/h2-7H,8,14H2,1H3/t12-/m0/s1
InChIKeyAAAGDSQCRNQLKH-LBPRGKRZSA-N
MW236.32 g/mol
LogP2.70
Rot. Bonds3

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

(2S)-1-(2-fluorophenyl)-2-(1,3-thiazol-2-yl)propan-2-amine (PubChem CID 10489998) has the molecular formula C12H13FN2S and a molecular weight of 236.32 g/mol. Its IUPAC name is (2S)-1-(2-fluorophenyl)-2-(1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(2-fluorophenyl)-2-(1,3-thiazol-2-yl)propan-2-amine
PubChem CID10489998
Molecular FormulaC12H13FN2S
Molecular Weight236.32 g/mol
Exact Mass236.08
IUPAC Name(2S)-1-(2-fluorophenyl)-2-(1,3-thiazol-2-yl)propan-2-amine
SMILESC[C@](N)(Cc1ccccc1F)c1nccs1
InChIInChI=1S/C12H13FN2S/c1-12(14,11-15-6-7-16-11)8-9-4-2-3-5-10(9)13/h2-7H,8,14H2,1H3/t12-/m0/s1
InChIKeyAAAGDSQCRNQLKH-LBPRGKRZSA-N
XLogP2.70
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-N-propan-2-yl-2-(1,3-thiazol-2-yl)propan-2-amine
CID 114832596
(2S)-1-(2-fluorophenyl)-2-pyridin-2-ylpropan-2-amine
CID 10657092
1-(2-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 114832527
1-(2-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 70701058
2-(4-bromophenyl)-1-(2-fluorophenyl)propan-2-amine
CID 60799509
3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 62739574
1-(2-fluorophenyl)-2-methyl-3-(1-methylimidazol-2-yl)propan-2-ol
CID 114832719
2-(2,3-dichlorophenyl)-1-(2-fluorophenyl)propan-2-amine
CID 114833591
N-[(5-chloro-2-fluorophenyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 103845068
2-(3-chlorothiophen-2-yl)-1-(2-fluorophenyl)propan-2-ol
CID 107359205
N-[(2-methylphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 113237093
1-(2-fluorophenyl)-2-methyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 114833540

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-fluorophenyl)-2-(1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of (2S)-1-(2-fluorophenyl)-2-(1,3-thiazol-2-yl)propan-2-amine (CID 10489998) is (2S)-1-(2-fluorophenyl)-2-(1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for (2S)-1-(2-fluorophenyl)-2-(1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for (2S)-1-(2-fluorophenyl)-2-(1,3-thiazol-2-yl)propan-2-amine is C[C@](N)(Cc1ccccc1F)c1nccs1.
What is the InChIKey of (2S)-1-(2-fluorophenyl)-2-(1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is AAAGDSQCRNQLKH-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H13FN2S/c1-12(14,11-15-6-7-16-11)8-9-4-2-3-5-10(9)13/h2-7H,8,14H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-1-(2-fluorophenyl)-2-(1,3-thiazol-2-yl)propan-2-amine?
(2S)-1-(2-fluorophenyl)-2-(1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 236.32 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-fluorophenyl)-2-(1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 10489998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).