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

C13H16FN3S — CID 112583395

IUPAC1-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]butan-1-amine
SMILESCCCC(N)c1nc(-c2ccc(F)cn2)c(C)s1
InChIInChI=1S/C13H16FN3S/c1-3-4-10(15)13-17-12(8(2)18-13)11-6-5-9(14)7-16-11/h5-7,10H,3-4,15H2,1-2H3
InChIKeyVTDOYAFBXJNMBG-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.45
Rot. Bonds4

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

1-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]butan-1-amine (PubChem CID 112583395) has the molecular formula C13H16FN3S and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]butan-1-amine.

Molecular Properties

Compound Name1-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]butan-1-amine
PubChem CID112583395
Molecular FormulaC13H16FN3S
Molecular Weight265.36 g/mol
Exact Mass265.10
IUPAC Name1-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]butan-1-amine
SMILESCCCC(N)c1nc(-c2ccc(F)cn2)c(C)s1
InChIInChI=1S/C13H16FN3S/c1-3-4-10(15)13-17-12(8(2)18-13)11-6-5-9(14)7-16-11/h5-7,10H,3-4,15H2,1-2H3
InChIKeyVTDOYAFBXJNMBG-UHFFFAOYSA-N
XLogP3.45
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]butan-1-amine
CID 61337044
2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]ethanamine
CID 112583390
[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]hydrazine
CID 112586126
2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]acetic acid
CID 112585209
2-(4-bromophenyl)-4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazole
CID 115941752
1-[5-methyl-4-(3-nitrophenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 61336848
1-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine
CID 112677183
1-cyclopropyl-N-[[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]methyl]methanamine
CID 112583423
1-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 61338205
3-(5-fluoro-2-pyridinyl)-1-propylpyrazol-4-amine
CID 83222696
2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]ethanamine
CID 112585736
1-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine
CID 61337687

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]butan-1-amine?
The IUPAC name of 1-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]butan-1-amine (CID 112583395) is 1-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]butan-1-amine.
What is the SMILES notation for 1-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]butan-1-amine?
The canonical SMILES for 1-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]butan-1-amine is CCCC(N)c1nc(-c2ccc(F)cn2)c(C)s1.
What is the InChIKey of 1-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]butan-1-amine?
The InChIKey is VTDOYAFBXJNMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3S/c1-3-4-10(15)13-17-12(8(2)18-13)11-6-5-9(14)7-16-11/h5-7,10H,3-4,15H2,1-2H3.
What are the key properties of 1-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]butan-1-amine?
1-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]butan-1-amine has a molecular weight of 265.36 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]butan-1-amine is sourced from PubChem (CID 112583395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).