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

C14H16BrFN2S — CID 55130311

IUPAC1-[4-(3-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(N)c1nc(-c2ccc(F)c(Br)c2)cs1
InChIInChI=1S/C14H16BrFN2S/c1-14(2,3)12(17)13-18-11(7-19-13)8-4-5-10(16)9(15)6-8/h4-7,12H,17H2,1-3H3
InChIKeyGZTBGAQAFWLHSB-UHFFFAOYSA-N
MW343.27 g/mol
LogP4.76
Rot. Bonds2

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

1-[4-(3-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine (PubChem CID 55130311) has the molecular formula C14H16BrFN2S and a molecular weight of 343.27 g/mol. Its IUPAC name is 1-[4-(3-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-[4-(3-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine
PubChem CID55130311
Molecular FormulaC14H16BrFN2S
Molecular Weight343.27 g/mol
Exact Mass342.02
IUPAC Name1-[4-(3-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(N)c1nc(-c2ccc(F)c(Br)c2)cs1
InChIInChI=1S/C14H16BrFN2S/c1-14(2,3)12(17)13-18-11(7-19-13)8-4-5-10(16)9(15)6-8/h4-7,12H,17H2,1-3H3
InChIKeyGZTBGAQAFWLHSB-UHFFFAOYSA-N
XLogP4.76
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-[4-(3-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine (CID 55130311) is 1-[4-(3-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-[4-(3-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-[4-(3-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine is CC(C)(C)C(N)c1nc(-c2ccc(F)c(Br)c2)cs1.
What is the InChIKey of 1-[4-(3-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine?
The InChIKey is GZTBGAQAFWLHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2S/c1-14(2,3)12(17)13-18-11(7-19-13)8-4-5-10(16)9(15)6-8/h4-7,12H,17H2,1-3H3.
What are the key properties of 1-[4-(3-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine?
1-[4-(3-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine has a molecular weight of 343.27 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 55130311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).