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

C13H15FN2S — CID 116967292

IUPAC2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butan-1-amine
SMILESCCC(CN)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C13H15FN2S/c1-2-9(7-15)13-16-12(8-17-13)10-3-5-11(14)6-4-10/h3-6,8-9H,2,7,15H2,1H3
InChIKeySGZAIHOKTSQPBT-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.40
Rot. Bonds4

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

2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butan-1-amine (PubChem CID 116967292) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butan-1-amine.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butan-1-amine
PubChem CID116967292
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC Name2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butan-1-amine
SMILESCCC(CN)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C13H15FN2S/c1-2-9(7-15)13-16-12(8-17-13)10-3-5-11(14)6-4-10/h3-6,8-9H,2,7,15H2,1H3
InChIKeySGZAIHOKTSQPBT-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 116967295
2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 116967305
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]butan-1-ol
CID 116967248
N-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 1132723
2-amino-1-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol
CID 116966807
4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 116965132
2-amino-1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethanol
CID 116966829
(1S,2S)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylbutan-1-amine
CID 67292696
2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanenitrile
CID 116967451
2-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine
CID 62651320
N-[(2S)-butan-2-yl]-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 2591185
N-[(2R)-butan-2-yl]-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 2591188

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butan-1-amine?
The IUPAC name of 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butan-1-amine (CID 116967292) is 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butan-1-amine.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butan-1-amine?
The canonical SMILES for 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butan-1-amine is CCC(CN)c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butan-1-amine?
The InChIKey is SGZAIHOKTSQPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-2-9(7-15)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 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butan-1-amine?
2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butan-1-amine has a molecular weight of 250.34 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butan-1-amine is sourced from PubChem (CID 116967292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).