N-[1-(2-fluorophenyl)propyl]-1,3-thiazol-2-amine

C12H13FN2S — CID 112677046

IUPACN-[1-(2-fluorophenyl)propyl]-1,3-thiazol-2-amine
SMILESCCC(Nc1nccs1)c1ccccc1F
InChIInChI=1S/C12H13FN2S/c1-2-11(15-12-14-7-8-16-12)9-5-3-4-6-10(9)13/h3-8,11H,2H2,1H3,(H,14,15)
InChIKeyXCXFQOQLPXYOOO-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.85
Rot. Bonds4

About N-[1-(2-fluorophenyl)propyl]-1,3-thiazol-2-amine

N-[1-(2-fluorophenyl)propyl]-1,3-thiazol-2-amine (PubChem CID 112677046) has the molecular formula C12H13FN2S and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)propyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)propyl]-1,3-thiazol-2-amine
PubChem CID112677046
Molecular FormulaC12H13FN2S
Molecular Weight236.32 g/mol
Exact Mass236.08
IUPAC NameN-[1-(2-fluorophenyl)propyl]-1,3-thiazol-2-amine
SMILESCCC(Nc1nccs1)c1ccccc1F
InChIInChI=1S/C12H13FN2S/c1-2-11(15-12-14-7-8-16-12)9-5-3-4-6-10(9)13/h3-8,11H,2H2,1H3,(H,14,15)
InChIKeyXCXFQOQLPXYOOO-UHFFFAOYSA-N
XLogP3.85
TPSA24.92 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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-fluoro-4-[1-(2-fluorophenyl)propylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134585308
2-fluoro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676866
N-fluoro-1-(2-fluorophenyl)propan-1-amine
CID 175319126
1-(2-fluorophenyl)-N-(1-thiophen-2-ylpropyl)propan-1-amine
CID 112632384
N-[1-(3,4-dichlorophenyl)propyl]-1,3-thiazol-2-amine
CID 79046612
3-fluoro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline
CID 112676975
1-(1,3-thiazol-2-ylamino)propane-1-thiol
CID 123498240
N-[1-(2-fluorophenyl)propyl]pentan-3-amine
CID 112631369
N-(2-fluorophenyl)-1,3-thiazol-2-amine
CID 82537266
N-[1-(3-nitrophenyl)propyl]-1,3-thiazol-2-amine
CID 79046608
2-fluoro-N-[1-(2-fluorophenyl)propyl]-4-methylaniline
CID 112676899
2-fluoro-N-[1-(2-fluorophenyl)propyl]-5-methylaniline
CID 112676903

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)propyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(2-fluorophenyl)propyl]-1,3-thiazol-2-amine (CID 112677046) is N-[1-(2-fluorophenyl)propyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(2-fluorophenyl)propyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(2-fluorophenyl)propyl]-1,3-thiazol-2-amine is CCC(Nc1nccs1)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)propyl]-1,3-thiazol-2-amine?
The InChIKey is XCXFQOQLPXYOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2S/c1-2-11(15-12-14-7-8-16-12)9-5-3-4-6-10(9)13/h3-8,11H,2H2,1H3,(H,14,15).
What are the key properties of N-[1-(2-fluorophenyl)propyl]-1,3-thiazol-2-amine?
N-[1-(2-fluorophenyl)propyl]-1,3-thiazol-2-amine has a molecular weight of 236.32 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)propyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 112677046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).