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

C14H9F3N4S — CID 44565888

IUPAC4-(1,3-thiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESFC(F)(F)c1ccc(Nc2nccc(-c3nccs3)n2)cc1
InChIInChI=1S/C14H9F3N4S/c15-14(16,17)9-1-3-10(4-2-9)20-13-19-6-5-11(21-13)12-18-7-8-22-12/h1-8H,(H,19,20,21)
InChIKeyNTVZOZCVWXHSGH-UHFFFAOYSA-N
MW322.32 g/mol
LogP4.36
Rot. Bonds3

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

4-(1,3-thiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine (PubChem CID 44565888) has the molecular formula C14H9F3N4S and a molecular weight of 322.32 g/mol. Its IUPAC name is 4-(1,3-thiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1,3-thiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
PubChem CID44565888
Molecular FormulaC14H9F3N4S
Molecular Weight322.32 g/mol
Exact Mass322.05
IUPAC Name4-(1,3-thiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESFC(F)(F)c1ccc(Nc2nccc(-c3nccs3)n2)cc1
InChIInChI=1S/C14H9F3N4S/c15-14(16,17)9-1-3-10(4-2-9)20-13-19-6-5-11(21-13)12-18-7-8-22-12/h1-8H,(H,19,20,21)
InChIKeyNTVZOZCVWXHSGH-UHFFFAOYSA-N
XLogP4.36
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The IUPAC name of 4-(1,3-thiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine (CID 44565888) is 4-(1,3-thiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(1,3-thiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-(1,3-thiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine is FC(F)(F)c1ccc(Nc2nccc(-c3nccs3)n2)cc1.
What is the InChIKey of 4-(1,3-thiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The InChIKey is NTVZOZCVWXHSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4S/c15-14(16,17)9-1-3-10(4-2-9)20-13-19-6-5-11(21-13)12-18-7-8-22-12/h1-8H,(H,19,20,21).
What are the key properties of 4-(1,3-thiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
4-(1,3-thiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine has a molecular weight of 322.32 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 44565888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).