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

C15H19FN2S — CID 114832596

IUPAC1-(2-fluorophenyl)-N-propan-2-yl-2-(1,3-thiazol-2-yl)propan-2-amine
SMILESCC(C)NC(C)(Cc1ccccc1F)c1nccs1
InChIInChI=1S/C15H19FN2S/c1-11(2)18-15(3,14-17-8-9-19-14)10-12-6-4-5-7-13(12)16/h4-9,11,18H,10H2,1-3H3
InChIKeyQHLMVVSGQJEDOX-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.74
Rot. Bonds5

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

1-(2-fluorophenyl)-N-propan-2-yl-2-(1,3-thiazol-2-yl)propan-2-amine (PubChem CID 114832596) has the molecular formula C15H19FN2S and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-propan-2-yl-2-(1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-propan-2-yl-2-(1,3-thiazol-2-yl)propan-2-amine
PubChem CID114832596
Molecular FormulaC15H19FN2S
Molecular Weight278.40 g/mol
Exact Mass278.13
IUPAC Name1-(2-fluorophenyl)-N-propan-2-yl-2-(1,3-thiazol-2-yl)propan-2-amine
SMILESCC(C)NC(C)(Cc1ccccc1F)c1nccs1
InChIInChI=1S/C15H19FN2S/c1-11(2)18-15(3,14-17-8-9-19-14)10-12-6-4-5-7-13(12)16/h4-9,11,18H,10H2,1-3H3
InChIKeyQHLMVVSGQJEDOX-UHFFFAOYSA-N
XLogP3.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(2-fluorophenyl)-2-(1,3-thiazol-2-yl)propan-2-amine
CID 10489998
2-hydroxy-2-phenyl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide
CID 111539967
1-(2-fluorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 113348121
1-(2-fluorophenoxy)-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol
CID 103828789
2-(propan-2-ylamino)-2-(1,3-thiazol-2-yl)propanoic acid
CID 64990854
(2S)-1-(2-fluorophenyl)-2-pyridin-2-ylpropan-2-amine
CID 10657092
1-(4-fluorophenyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]ethanol
CID 111496642
N-propan-2-yl-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide
CID 96519869
N-[(5-chloro-2-fluorophenyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 103845068
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-N-methylpropan-2-amine
CID 114832552
3-(2-fluorophenyl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 62723351
N-[(2-methylphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 113237093

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-propan-2-yl-2-(1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)-N-propan-2-yl-2-(1,3-thiazol-2-yl)propan-2-amine (CID 114832596) is 1-(2-fluorophenyl)-N-propan-2-yl-2-(1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-propan-2-yl-2-(1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)-N-propan-2-yl-2-(1,3-thiazol-2-yl)propan-2-amine is CC(C)NC(C)(Cc1ccccc1F)c1nccs1.
What is the InChIKey of 1-(2-fluorophenyl)-N-propan-2-yl-2-(1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is QHLMVVSGQJEDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2S/c1-11(2)18-15(3,14-17-8-9-19-14)10-12-6-4-5-7-13(12)16/h4-9,11,18H,10H2,1-3H3.
What are the key properties of 1-(2-fluorophenyl)-N-propan-2-yl-2-(1,3-thiazol-2-yl)propan-2-amine?
1-(2-fluorophenyl)-N-propan-2-yl-2-(1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 278.40 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-propan-2-yl-2-(1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 114832596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).