3-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine

C13H13FN2S — CID 116965515

IUPAC3-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine
SMILESNC1CC(c2nc(-c3cccc(F)c3)cs2)C1
InChIInChI=1S/C13H13FN2S/c14-10-3-1-2-8(4-10)12-7-17-13(16-12)9-5-11(15)6-9/h1-4,7,9,11H,5-6,15H2
InChIKeyYIPYRRUFPISVSK-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.15
Rot. Bonds2

About 3-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine

3-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine (PubChem CID 116965515) has the molecular formula C13H13FN2S and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine
PubChem CID116965515
Molecular FormulaC13H13FN2S
Molecular Weight248.33 g/mol
Exact Mass248.08
IUPAC Name3-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine
SMILESNC1CC(c2nc(-c3cccc(F)c3)cs2)C1
InChIInChI=1S/C13H13FN2S/c14-10-3-1-2-8(4-10)12-7-17-13(16-12)9-5-11(15)6-9/h1-4,7,9,11H,5-6,15H2
InChIKeyYIPYRRUFPISVSK-UHFFFAOYSA-N
XLogP3.15
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-fluorophenyl)-2-pyrrolidin-3-yl-1,3-thiazole
CID 116965376
3-(4-pyridin-4-yl-1,3-thiazol-2-yl)cyclobutan-1-amine
CID 116965519
cis-(1S,3R)-3-(4-phenyl-1,3-thiazol-2-yl)cyclopentan-1-amine;trans-(1S,3S)-3-(4-phenyl-1,3-thiazol-2-yl)cyclopentan-1-amine
CID 160876170
3-(4-thiophen-2-yl-1,3-thiazol-2-yl)cyclobutan-1-amine
CID 116965488
3-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]cyclobutan-1-amine
CID 116965509
1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
CID 61337834
4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N-pyrazin-2-ylpiperidine-1-carboxamide
CID 68778670
4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]cyclohexan-1-ol
CID 116966608
3-(2-cyclobutyl-1,3-thiazol-4-yl)-N-methylaniline
CID 116888849
4-(3-chlorophenyl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride
CID 120558221
1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 62543515
4-(3-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 60675825

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine?
The IUPAC name of 3-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine (CID 116965515) is 3-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine is NC1CC(c2nc(-c3cccc(F)c3)cs2)C1.
What is the InChIKey of 3-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine?
The InChIKey is YIPYRRUFPISVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2S/c14-10-3-1-2-8(4-10)12-7-17-13(16-12)9-5-11(15)6-9/h1-4,7,9,11H,5-6,15H2.
What are the key properties of 3-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine?
3-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine has a molecular weight of 248.33 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine is sourced from PubChem (CID 116965515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).