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

C20H20F3N5S — CID 67959094

IUPAC3-[(2R)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]-5-(1H-indazol-6-yl)-2H-1,3-thiazol-2-amine
SMILESNC1SC(c2ccc3cn[nH]c3c2)=CN1C[C@H](N)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H20F3N5S/c21-20(22,23)15-5-1-12(2-6-15)7-16(24)10-28-11-18(29-19(28)25)13-3-4-14-9-26-27-17(14)8-13/h1-6,8-9,11,16,19H,7,10,24-25H2,(H,26,27)/t16-,19?/m1/s1
InChIKeyVSROGJWJLYKHOZ-VTBWFHPJSA-N
MW419.48 g/mol
LogP3.74
Rot. Bonds5

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

3-[(2R)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]-5-(1H-indazol-6-yl)-2H-1,3-thiazol-2-amine (PubChem CID 67959094) has the molecular formula C20H20F3N5S and a molecular weight of 419.48 g/mol. Its IUPAC name is 3-[(2R)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]-5-(1H-indazol-6-yl)-2H-1,3-thiazol-2-amine.

Molecular Properties

Compound Name3-[(2R)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]-5-(1H-indazol-6-yl)-2H-1,3-thiazol-2-amine
PubChem CID67959094
Molecular FormulaC20H20F3N5S
Molecular Weight419.48 g/mol
Exact Mass419.14
IUPAC Name3-[(2R)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]-5-(1H-indazol-6-yl)-2H-1,3-thiazol-2-amine
SMILESNC1SC(c2ccc3cn[nH]c3c2)=CN1C[C@H](N)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H20F3N5S/c21-20(22,23)15-5-1-12(2-6-15)7-16(24)10-28-11-18(29-19(28)25)13-3-4-14-9-26-27-17(14)8-13/h1-6,8-9,11,16,19H,7,10,24-25H2,(H,26,27)/t16-,19?/m1/s1
InChIKeyVSROGJWJLYKHOZ-VTBWFHPJSA-N
XLogP3.74
TPSA83.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]-5-(1H-indazol-6-yl)-2H-1,3-thiazol-2-amine?
The IUPAC name of 3-[(2R)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]-5-(1H-indazol-6-yl)-2H-1,3-thiazol-2-amine (CID 67959094) is 3-[(2R)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]-5-(1H-indazol-6-yl)-2H-1,3-thiazol-2-amine.
What is the SMILES notation for 3-[(2R)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]-5-(1H-indazol-6-yl)-2H-1,3-thiazol-2-amine?
The canonical SMILES for 3-[(2R)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]-5-(1H-indazol-6-yl)-2H-1,3-thiazol-2-amine is NC1SC(c2ccc3cn[nH]c3c2)=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-(1H-indazol-6-yl)-2H-1,3-thiazol-2-amine?
The InChIKey is VSROGJWJLYKHOZ-VTBWFHPJSA-N. The full InChI is InChI=1S/C20H20F3N5S/c21-20(22,23)15-5-1-12(2-6-15)7-16(24)10-28-11-18(29-19(28)25)13-3-4-14-9-26-27-17(14)8-13/h1-6,8-9,11,16,19H,7,10,24-25H2,(H,26,27)/t16-,19?/m1/s1.
What are the key properties of 3-[(2R)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]-5-(1H-indazol-6-yl)-2H-1,3-thiazol-2-amine?
3-[(2R)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]-5-(1H-indazol-6-yl)-2H-1,3-thiazol-2-amine has a molecular weight of 419.48 g/mol, XLogP of 3.74, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]-5-(1H-indazol-6-yl)-2H-1,3-thiazol-2-amine is sourced from PubChem (CID 67959094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).