5-[3-[2-amino-4-(trifluoromethyl)-4H-pyrimidin-3-yl]phenyl]-1,3-thiazol-2-amine

C14H12F3N5S — CID 118387188

IUPAC5-[3-[2-amino-4-(trifluoromethyl)-4H-pyrimidin-3-yl]phenyl]-1,3-thiazol-2-amine
SMILESNC1=NC=CC(C(F)(F)F)N1c1cccc(-c2cnc(N)s2)c1
InChIInChI=1S/C14H12F3N5S/c15-14(16,17)11-4-5-20-12(18)22(11)9-3-1-2-8(6-9)10-7-21-13(19)23-10/h1-7,11H,(H2,18,20)(H2,19,21)
InChIKeyARPMDXXNUSGYBL-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.97
Rot. Bonds2

About 5-[3-[2-amino-4-(trifluoromethyl)-4H-pyrimidin-3-yl]phenyl]-1,3-thiazol-2-amine

5-[3-[2-amino-4-(trifluoromethyl)-4H-pyrimidin-3-yl]phenyl]-1,3-thiazol-2-amine (PubChem CID 118387188) has the molecular formula C14H12F3N5S and a molecular weight of 339.35 g/mol. Its IUPAC name is 5-[3-[2-amino-4-(trifluoromethyl)-4H-pyrimidin-3-yl]phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[3-[2-amino-4-(trifluoromethyl)-4H-pyrimidin-3-yl]phenyl]-1,3-thiazol-2-amine
PubChem CID118387188
Molecular FormulaC14H12F3N5S
Molecular Weight339.35 g/mol
Exact Mass339.08
IUPAC Name5-[3-[2-amino-4-(trifluoromethyl)-4H-pyrimidin-3-yl]phenyl]-1,3-thiazol-2-amine
SMILESNC1=NC=CC(C(F)(F)F)N1c1cccc(-c2cnc(N)s2)c1
InChIInChI=1S/C14H12F3N5S/c15-14(16,17)11-4-5-20-12(18)22(11)9-3-1-2-8(6-9)10-7-21-13(19)23-10/h1-7,11H,(H2,18,20)(H2,19,21)
InChIKeyARPMDXXNUSGYBL-UHFFFAOYSA-N
XLogP2.97
TPSA80.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-amino-4-(trifluoromethyl)-4H-pyrimidin-3-yl]phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[3-[2-amino-4-(trifluoromethyl)-4H-pyrimidin-3-yl]phenyl]-1,3-thiazol-2-amine (CID 118387188) is 5-[3-[2-amino-4-(trifluoromethyl)-4H-pyrimidin-3-yl]phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[3-[2-amino-4-(trifluoromethyl)-4H-pyrimidin-3-yl]phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[3-[2-amino-4-(trifluoromethyl)-4H-pyrimidin-3-yl]phenyl]-1,3-thiazol-2-amine is NC1=NC=CC(C(F)(F)F)N1c1cccc(-c2cnc(N)s2)c1.
What is the InChIKey of 5-[3-[2-amino-4-(trifluoromethyl)-4H-pyrimidin-3-yl]phenyl]-1,3-thiazol-2-amine?
The InChIKey is ARPMDXXNUSGYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5S/c15-14(16,17)11-4-5-20-12(18)22(11)9-3-1-2-8(6-9)10-7-21-13(19)23-10/h1-7,11H,(H2,18,20)(H2,19,21).
What are the key properties of 5-[3-[2-amino-4-(trifluoromethyl)-4H-pyrimidin-3-yl]phenyl]-1,3-thiazol-2-amine?
5-[3-[2-amino-4-(trifluoromethyl)-4H-pyrimidin-3-yl]phenyl]-1,3-thiazol-2-amine has a molecular weight of 339.35 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-amino-4-(trifluoromethyl)-4H-pyrimidin-3-yl]phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 118387188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).