1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine

C17H23FN2S — CID 79828211

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(F)cc1)Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C17H23FN2S/c1-17(2,3)15-11-21-16(20-15)10-14(19-4)9-12-5-7-13(18)8-6-12/h5-8,11,14,19H,9-10H2,1-4H3
InChIKeyPJMOQXJCDFPGEK-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.95
Rot. Bonds5

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine

1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine (PubChem CID 79828211) has the molecular formula C17H23FN2S and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
PubChem CID79828211
Molecular FormulaC17H23FN2S
Molecular Weight306.45 g/mol
Exact Mass306.16
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(F)cc1)Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C17H23FN2S/c1-17(2,3)15-11-21-16(20-15)10-14(19-4)9-12-5-7-13(18)8-6-12/h5-8,11,14,19H,9-10H2,1-4H3
InChIKeyPJMOQXJCDFPGEK-UHFFFAOYSA-N
XLogP3.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine (CID 79828211) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine is CNC(Cc1ccc(F)cc1)Cc1nc(C(C)(C)C)cs1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine?
The InChIKey is PJMOQXJCDFPGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2S/c1-17(2,3)15-11-21-16(20-15)10-14(19-4)9-12-5-7-13(18)8-6-12/h5-8,11,14,19H,9-10H2,1-4H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine?
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine has a molecular weight of 306.45 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 79828211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).