1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)butan-2-amine

C15H19FN2S — CID 112679617

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)butan-2-amine
SMILESCCC(N)(Cc1nc(C)c(C)s1)c1ccccc1F
InChIInChI=1S/C15H19FN2S/c1-4-15(17,12-7-5-6-8-13(12)16)9-14-18-10(2)11(3)19-14/h5-8H,4,9,17H2,1-3H3
InChIKeyLYZILEXOTRYQCK-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.71
Rot. Bonds4

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)butan-2-amine

1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)butan-2-amine (PubChem CID 112679617) has the molecular formula C15H19FN2S and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)butan-2-amine.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)butan-2-amine
PubChem CID112679617
Molecular FormulaC15H19FN2S
Molecular Weight278.40 g/mol
Exact Mass278.13
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)butan-2-amine
SMILESCCC(N)(Cc1nc(C)c(C)s1)c1ccccc1F
InChIInChI=1S/C15H19FN2S/c1-4-15(17,12-7-5-6-8-13(12)16)9-14-18-10(2)11(3)19-14/h5-8H,4,9,17H2,1-3H3
InChIKeyLYZILEXOTRYQCK-UHFFFAOYSA-N
XLogP3.71
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)butan-2-amine?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)butan-2-amine (CID 112679617) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)butan-2-amine.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)butan-2-amine?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)butan-2-amine is CCC(N)(Cc1nc(C)c(C)s1)c1ccccc1F.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)butan-2-amine?
The InChIKey is LYZILEXOTRYQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2S/c1-4-15(17,12-7-5-6-8-13(12)16)9-14-18-10(2)11(3)19-14/h5-8H,4,9,17H2,1-3H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)butan-2-amine?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)butan-2-amine has a molecular weight of 278.40 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)butan-2-amine is sourced from PubChem (CID 112679617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).