5-(2-aminopyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

C14H10F3N5S — CID 91664257

IUPAC5-(2-aminopyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESNc1nccc(-c2cnc(Nc3ccc(C(F)(F)F)cc3)s2)n1
InChIInChI=1S/C14H10F3N5S/c15-14(16,17)8-1-3-9(4-2-8)21-13-20-7-11(23-13)10-5-6-19-12(18)22-10/h1-7H,(H,20,21)(H2,18,19,22)
InChIKeyVCMXLSNRBGKWAM-UHFFFAOYSA-N
MW337.33 g/mol
LogP3.94
Rot. Bonds3

About 5-(2-aminopyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

5-(2-aminopyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 91664257) has the molecular formula C14H10F3N5S and a molecular weight of 337.33 g/mol. Its IUPAC name is 5-(2-aminopyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2-aminopyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID91664257
Molecular FormulaC14H10F3N5S
Molecular Weight337.33 g/mol
Exact Mass337.06
IUPAC Name5-(2-aminopyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESNc1nccc(-c2cnc(Nc3ccc(C(F)(F)F)cc3)s2)n1
InChIInChI=1S/C14H10F3N5S/c15-14(16,17)8-1-3-9(4-2-8)21-13-20-7-11(23-13)10-5-6-19-12(18)22-10/h1-7H,(H,20,21)(H2,18,19,22)
InChIKeyVCMXLSNRBGKWAM-UHFFFAOYSA-N
XLogP3.94
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-(2-aminopyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 91664257) is 5-(2-aminopyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2-aminopyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2-aminopyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is Nc1nccc(-c2cnc(Nc3ccc(C(F)(F)F)cc3)s2)n1.
What is the InChIKey of 5-(2-aminopyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is VCMXLSNRBGKWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5S/c15-14(16,17)8-1-3-9(4-2-8)21-13-20-7-11(23-13)10-5-6-19-12(18)22-10/h1-7H,(H,20,21)(H2,18,19,22).
What are the key properties of 5-(2-aminopyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
5-(2-aminopyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 337.33 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 91664257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).