2-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine

C12H14FN3S — CID 114080610

IUPAC2-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
SMILESCC(C)(CN)c1nc(-c2cncc(F)c2)cs1
InChIInChI=1S/C12H14FN3S/c1-12(2,7-14)11-16-10(6-17-11)8-3-9(13)5-15-4-8/h3-6H,7,14H2,1-2H3
InChIKeyZJWFOABJNIBFKM-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.58
Rot. Bonds3

About 2-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine

2-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine (PubChem CID 114080610) has the molecular formula C12H14FN3S and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
PubChem CID114080610
Molecular FormulaC12H14FN3S
Molecular Weight251.33 g/mol
Exact Mass251.09
IUPAC Name2-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
SMILESCC(C)(CN)c1nc(-c2cncc(F)c2)cs1
InChIInChI=1S/C12H14FN3S/c1-12(2,7-14)11-16-10(6-17-11)8-3-9(13)5-15-4-8/h3-6H,7,14H2,1-2H3
InChIKeyZJWFOABJNIBFKM-UHFFFAOYSA-N
XLogP2.58
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-amine
CID 130556959
2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N,2-dimethylpropan-1-amine
CID 116865445
2-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine
CID 114080620
[2-(1-amino-2-methylpropan-2-yl)-1,3-thiazol-4-yl]methanol
CID 82504324
3-methyl-3-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 116965174
2-methyl-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propan-1-amine
CID 103097106
3-methyl-3-(4-phenyl-1,3-thiazol-2-yl)butanoic acid
CID 116965761
4-(5-fluoro-3-pyridinyl)-2-piperazin-1-yl-1,3-thiazole
CID 114080613
6-(5-fluoro-3-pyridinyl)-3,4-dimethylpyridin-2-amine
CID 91311882
2-amino-2-(5-fluoro-3-pyridinyl)propan-1-ol
CID 55292830
2-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]acetic acid
CID 83295852
3-methyl-3-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]butan-1-amine
CID 116965180

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine?
The IUPAC name of 2-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine (CID 114080610) is 2-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 2-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine?
The canonical SMILES for 2-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine is CC(C)(CN)c1nc(-c2cncc(F)c2)cs1.
What is the InChIKey of 2-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine?
The InChIKey is ZJWFOABJNIBFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3S/c1-12(2,7-14)11-16-10(6-17-11)8-3-9(13)5-15-4-8/h3-6H,7,14H2,1-2H3.
What are the key properties of 2-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine?
2-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine has a molecular weight of 251.33 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 114080610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).