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

C13H15FN2S — CID 62647488

IUPAC1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine
SMILESCCC(N)Cc1nc(-c2ccccc2F)cs1
InChIInChI=1S/C13H15FN2S/c1-2-9(15)7-13-16-12(8-17-13)10-5-3-4-6-11(10)14/h3-6,8-9H,2,7,15H2,1H3
InChIKeyXZJLPHMUNPUAFC-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.23
Rot. Bonds4

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

1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine (PubChem CID 62647488) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine
PubChem CID62647488
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC Name1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine
SMILESCCC(N)Cc1nc(-c2ccccc2F)cs1
InChIInChI=1S/C13H15FN2S/c1-2-9(15)7-13-16-12(8-17-13)10-5-3-4-6-11(10)14/h3-6,8-9H,2,7,15H2,1H3
InChIKeyXZJLPHMUNPUAFC-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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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine?
The IUPAC name of 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine (CID 62647488) is 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine.
What is the SMILES notation for 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine?
The canonical SMILES for 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine is CCC(N)Cc1nc(-c2ccccc2F)cs1.
What is the InChIKey of 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine?
The InChIKey is XZJLPHMUNPUAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-2-9(15)7-13-16-12(8-17-13)10-5-3-4-6-11(10)14/h3-6,8-9H,2,7,15H2,1H3.
What are the key properties of 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine?
1-[4-(2-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 1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine is sourced from PubChem (CID 62647488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).