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

C12H14FN3S — CID 114080620

IUPAC2-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine
SMILESCNCC(C)c1nc(-c2cncc(F)c2)cs1
InChIInChI=1S/C12H14FN3S/c1-8(4-14-2)12-16-11(7-17-12)9-3-10(13)6-15-5-9/h3,5-8,14H,4H2,1-2H3
InChIKeyBZFNDFFGYFDSTB-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.67
Rot. Bonds4

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

2-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine (PubChem CID 114080620) 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]-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine
PubChem CID114080620
Molecular FormulaC12H14FN3S
Molecular Weight251.33 g/mol
Exact Mass251.09
IUPAC Name2-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine
SMILESCNCC(C)c1nc(-c2cncc(F)c2)cs1
InChIInChI=1S/C12H14FN3S/c1-8(4-14-2)12-16-11(7-17-12)9-3-10(13)6-15-5-9/h3,5-8,14H,4H2,1-2H3
InChIKeyBZFNDFFGYFDSTB-UHFFFAOYSA-N
XLogP2.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-1-amine
CID 104513426
N-methyl-2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propan-1-amine
CID 104513360
2-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
CID 114080610
N-benzyl-4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-amine
CID 130556959
3-(5-fluoro-3-pyridinyl)-N,2-dimethylbutan-1-amine
CID 81016421
4-(5-fluoro-3-pyridinyl)-2-piperazin-1-yl-1,3-thiazole
CID 114080613
N-methyl-4-(5-methyl-3-pyridinyl)-1,3-thiazol-2-amine
CID 86806465
3-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-amine
CID 116965067
1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
CID 61337834
4-(3-fluorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 9420037
3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanoic acid
CID 82121712
1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 62543515

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine?
The IUPAC name of 2-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine (CID 114080620) is 2-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 2-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine?
The canonical SMILES for 2-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine is CNCC(C)c1nc(-c2cncc(F)c2)cs1.
What is the InChIKey of 2-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine?
The InChIKey is BZFNDFFGYFDSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3S/c1-8(4-14-2)12-16-11(7-17-12)9-3-10(13)6-15-5-9/h3,5-8,14H,4H2,1-2H3.
What are the key properties of 2-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine?
2-[4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine has a molecular weight of 251.33 g/mol, XLogP of 2.67, 4 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]-N-methylpropan-1-amine is sourced from PubChem (CID 114080620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).