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

C13H15FN2S — CID 116965132

IUPAC4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine
SMILESCC(N)CCc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C13H15FN2S/c1-9(15)2-7-13-16-12(8-17-13)10-3-5-11(14)6-4-10/h3-6,8-9H,2,7,15H2,1H3
InChIKeyINZICBMZQAWRJS-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.23
Rot. Bonds4

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

4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine (PubChem CID 116965132) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine
PubChem CID116965132
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC Name4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine
SMILESCC(N)CCc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C13H15FN2S/c1-9(15)2-7-13-16-12(8-17-13)10-3-5-11(14)6-4-10/h3-6,8-9H,2,7,15H2,1H3
InChIKeyINZICBMZQAWRJS-UHFFFAOYSA-N
XLogP3.23
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 116965140
4-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 116965129
N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine
CID 82103269
2-(2-chloroethyl)-4-(4-fluorophenyl)-1,3-thiazole
CID 82117610
2-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 116968225
N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine
CID 82103158
3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(3-methylbutyl)propanamide
CID 110415644
4-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 116965145
2-methyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 79817621
4-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 116965147
methyl 3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoate
CID 94276835
1-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-amine
CID 62653588

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine?
The IUPAC name of 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine (CID 116965132) is 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine?
The canonical SMILES for 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine is CC(N)CCc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine?
The InChIKey is INZICBMZQAWRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-9(15)2-7-13-16-12(8-17-13)10-3-5-11(14)6-4-10/h3-6,8-9H,2,7,15H2,1H3.
What are the key properties of 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine?
4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine has a molecular weight of 250.34 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine is sourced from PubChem (CID 116965132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).