1-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine

C15H19FN2S — CID 61337687

IUPAC1-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine
SMILESCc1sc(C(N)C(C)(C)C)nc1-c1ccc(F)cc1
InChIInChI=1S/C15H19FN2S/c1-9-12(10-5-7-11(16)8-6-10)18-14(19-9)13(17)15(2,3)4/h5-8,13H,17H2,1-4H3
InChIKeyVPMSMPZFLGANEI-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.30
Rot. Bonds2

About 1-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine

1-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine (PubChem CID 61337687) has the molecular formula C15H19FN2S and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine
PubChem CID61337687
Molecular FormulaC15H19FN2S
Molecular Weight278.40 g/mol
Exact Mass278.13
IUPAC Name1-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine
SMILESCc1sc(C(N)C(C)(C)C)nc1-c1ccc(F)cc1
InChIInChI=1S/C15H19FN2S/c1-9-12(10-5-7-11(16)8-6-10)18-14(19-9)13(17)15(2,3)4/h5-8,13H,17H2,1-4H3
InChIKeyVPMSMPZFLGANEI-UHFFFAOYSA-N
XLogP4.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine (CID 61337687) is 1-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine is Cc1sc(C(N)C(C)(C)C)nc1-c1ccc(F)cc1.
What is the InChIKey of 1-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine?
The InChIKey is VPMSMPZFLGANEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2S/c1-9-12(10-5-7-11(16)8-6-10)18-14(19-9)13(17)15(2,3)4/h5-8,13H,17H2,1-4H3.
What are the key properties of 1-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine?
1-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine has a molecular weight of 278.40 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 61337687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).