3-[(2R)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]-5-(1,6-naphthyridin-2-yl)-2H-1,3-thiazol-2-amine

C21H20F3N5S — CID 67959374

IUPAC3-[(2R)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]-5-(1,6-naphthyridin-2-yl)-2H-1,3-thiazol-2-amine
SMILESNC1SC(c2ccc3cnccc3n2)=CN1C[C@H](N)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H20F3N5S/c22-21(23,24)15-4-1-13(2-5-15)9-16(25)11-29-12-19(30-20(29)26)18-6-3-14-10-27-8-7-17(14)28-18/h1-8,10,12,16,20H,9,11,25-26H2/t16-,20?/m1/s1
InChIKeyXMMDIQZDRUIYHB-QRIPLOBPSA-N
MW431.49 g/mol
LogP3.81
Rot. Bonds5

About 3-[(2R)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]-5-(1,6-naphthyridin-2-yl)-2H-1,3-thiazol-2-amine

3-[(2R)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]-5-(1,6-naphthyridin-2-yl)-2H-1,3-thiazol-2-amine (PubChem CID 67959374) has the molecular formula C21H20F3N5S and a molecular weight of 431.49 g/mol. Its IUPAC name is 3-[(2R)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]-5-(1,6-naphthyridin-2-yl)-2H-1,3-thiazol-2-amine.

Molecular Properties

Compound Name3-[(2R)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]-5-(1,6-naphthyridin-2-yl)-2H-1,3-thiazol-2-amine
PubChem CID67959374
Molecular FormulaC21H20F3N5S
Molecular Weight431.49 g/mol
Exact Mass431.14
IUPAC Name3-[(2R)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]-5-(1,6-naphthyridin-2-yl)-2H-1,3-thiazol-2-amine
SMILESNC1SC(c2ccc3cnccc3n2)=CN1C[C@H](N)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H20F3N5S/c22-21(23,24)15-4-1-13(2-5-15)9-16(25)11-29-12-19(30-20(29)26)18-6-3-14-10-27-8-7-17(14)28-18/h1-8,10,12,16,20H,9,11,25-26H2/t16-,20?/m1/s1
InChIKeyXMMDIQZDRUIYHB-QRIPLOBPSA-N
XLogP3.81
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]-5-(1,6-naphthyridin-2-yl)-2H-1,3-thiazol-2-amine?
The IUPAC name of 3-[(2R)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]-5-(1,6-naphthyridin-2-yl)-2H-1,3-thiazol-2-amine (CID 67959374) is 3-[(2R)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]-5-(1,6-naphthyridin-2-yl)-2H-1,3-thiazol-2-amine.
What is the SMILES notation for 3-[(2R)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]-5-(1,6-naphthyridin-2-yl)-2H-1,3-thiazol-2-amine?
The canonical SMILES for 3-[(2R)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]-5-(1,6-naphthyridin-2-yl)-2H-1,3-thiazol-2-amine is NC1SC(c2ccc3cnccc3n2)=CN1C[C@H](N)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-[(2R)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]-5-(1,6-naphthyridin-2-yl)-2H-1,3-thiazol-2-amine?
The InChIKey is XMMDIQZDRUIYHB-QRIPLOBPSA-N. The full InChI is InChI=1S/C21H20F3N5S/c22-21(23,24)15-4-1-13(2-5-15)9-16(25)11-29-12-19(30-20(29)26)18-6-3-14-10-27-8-7-17(14)28-18/h1-8,10,12,16,20H,9,11,25-26H2/t16-,20?/m1/s1.
What are the key properties of 3-[(2R)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]-5-(1,6-naphthyridin-2-yl)-2H-1,3-thiazol-2-amine?
3-[(2R)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]-5-(1,6-naphthyridin-2-yl)-2H-1,3-thiazol-2-amine has a molecular weight of 431.49 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]-5-(1,6-naphthyridin-2-yl)-2H-1,3-thiazol-2-amine is sourced from PubChem (CID 67959374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).