4-[1-amino-2-[4-(trifluoromethyl)phenyl]ethyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine

C16H14F3N5S — CID 46943520

IUPAC4-[1-amino-2-[4-(trifluoromethyl)phenyl]ethyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine
SMILESNC(Cc1ccc(C(F)(F)F)cc1)c1csc(Nc2ncccn2)n1
InChIInChI=1S/C16H14F3N5S/c17-16(18,19)11-4-2-10(3-5-11)8-12(20)13-9-25-15(23-13)24-14-21-6-1-7-22-14/h1-7,9,12H,8,20H2,(H,21,22,23,24)
InChIKeyQDLHEEAZUAHRDY-UHFFFAOYSA-N
MW365.38 g/mol
LogP3.94
Rot. Bonds5

About 4-[1-amino-2-[4-(trifluoromethyl)phenyl]ethyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine

4-[1-amino-2-[4-(trifluoromethyl)phenyl]ethyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine (PubChem CID 46943520) has the molecular formula C16H14F3N5S and a molecular weight of 365.38 g/mol. Its IUPAC name is 4-[1-amino-2-[4-(trifluoromethyl)phenyl]ethyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[1-amino-2-[4-(trifluoromethyl)phenyl]ethyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine
PubChem CID46943520
Molecular FormulaC16H14F3N5S
Molecular Weight365.38 g/mol
Exact Mass365.09
IUPAC Name4-[1-amino-2-[4-(trifluoromethyl)phenyl]ethyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine
SMILESNC(Cc1ccc(C(F)(F)F)cc1)c1csc(Nc2ncccn2)n1
InChIInChI=1S/C16H14F3N5S/c17-16(18,19)11-4-2-10(3-5-11)8-12(20)13-9-25-15(23-13)24-14-21-6-1-7-22-14/h1-7,9,12H,8,20H2,(H,21,22,23,24)
InChIKeyQDLHEEAZUAHRDY-UHFFFAOYSA-N
XLogP3.94
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-2-[4-(trifluoromethyl)phenyl]ethyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-[1-amino-2-[4-(trifluoromethyl)phenyl]ethyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine (CID 46943520) is 4-[1-amino-2-[4-(trifluoromethyl)phenyl]ethyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[1-amino-2-[4-(trifluoromethyl)phenyl]ethyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[1-amino-2-[4-(trifluoromethyl)phenyl]ethyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine is NC(Cc1ccc(C(F)(F)F)cc1)c1csc(Nc2ncccn2)n1.
What is the InChIKey of 4-[1-amino-2-[4-(trifluoromethyl)phenyl]ethyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine?
The InChIKey is QDLHEEAZUAHRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5S/c17-16(18,19)11-4-2-10(3-5-11)8-12(20)13-9-25-15(23-13)24-14-21-6-1-7-22-14/h1-7,9,12H,8,20H2,(H,21,22,23,24).
What are the key properties of 4-[1-amino-2-[4-(trifluoromethyl)phenyl]ethyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine?
4-[1-amino-2-[4-(trifluoromethyl)phenyl]ethyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine has a molecular weight of 365.38 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-2-[4-(trifluoromethyl)phenyl]ethyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 46943520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).