[4-(3-fluorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine

C13H15FN2S — CID 82106665

IUPAC[4-(3-fluorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine
SMILESCC(C)c1sc(CN)nc1-c1cccc(F)c1
InChIInChI=1S/C13H15FN2S/c1-8(2)13-12(16-11(7-15)17-13)9-4-3-5-10(14)6-9/h3-6,8H,7,15H2,1-2H3
InChIKeyVBLIHCJFKAUWRM-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.53
Rot. Bonds3

About [4-(3-fluorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine

[4-(3-fluorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine (PubChem CID 82106665) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is [4-(3-fluorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-(3-fluorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine
PubChem CID82106665
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC Name[4-(3-fluorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine
SMILESCC(C)c1sc(CN)nc1-c1cccc(F)c1
InChIInChI=1S/C13H15FN2S/c1-8(2)13-12(16-11(7-15)17-13)9-4-3-5-10(14)6-9/h3-6,8H,7,15H2,1-2H3
InChIKeyVBLIHCJFKAUWRM-UHFFFAOYSA-N
XLogP3.53
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-ethylphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine
CID 39360934
[5-(3-fluorophenyl)-4-(2-methylphenyl)-1,3-thiazol-2-yl]methanamine
CID 82106600
[4-(3-fluorophenyl)-5-(pyridin-4-ylmethyl)-1,3-thiazol-2-yl]methanamine
CID 82106482
[5-(3-fluorophenyl)-4-pyridin-3-yl-1,3-thiazol-2-yl]methanamine
CID 82106836
2-[4-(3-chloro-4-fluorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]ethanamine
CID 82106779
2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-1-amine
CID 116884603
2-(5-propan-2-yl-4-pyridin-4-yl-1,3-thiazol-2-yl)ethanamine
CID 82106871
4-(3-chlorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine
CID 82106721
2-[4-(3-fluorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine
CID 114872284
[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methanamine
CID 61280947
2-methyl-N-[(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 62543216
6-(3-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80975741

Frequently Asked Questions

What is the IUPAC name of [4-(3-fluorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-(3-fluorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine (CID 82106665) is [4-(3-fluorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-(3-fluorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-(3-fluorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine is CC(C)c1sc(CN)nc1-c1cccc(F)c1.
What is the InChIKey of [4-(3-fluorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine?
The InChIKey is VBLIHCJFKAUWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-8(2)13-12(16-11(7-15)17-13)9-4-3-5-10(14)6-9/h3-6,8H,7,15H2,1-2H3.
What are the key properties of [4-(3-fluorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine?
[4-(3-fluorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine has a molecular weight of 250.34 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 82106665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).