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

C15H11F3N4S — CID 44593472

IUPACN-[3-methyl-5-(trifluoromethyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESCc1cc(Nc2nccc(-c3nccs3)n2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H11F3N4S/c1-9-6-10(15(16,17)18)8-11(7-9)21-14-20-3-2-12(22-14)13-19-4-5-23-13/h2-8H,1H3,(H,20,21,22)
InChIKeyLZZSVMHMGFYOIP-UHFFFAOYSA-N
MW336.34 g/mol
LogP4.67
Rot. Bonds3

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

N-[3-methyl-5-(trifluoromethyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine (PubChem CID 44593472) has the molecular formula C15H11F3N4S and a molecular weight of 336.34 g/mol. Its IUPAC name is N-[3-methyl-5-(trifluoromethyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-methyl-5-(trifluoromethyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
PubChem CID44593472
Molecular FormulaC15H11F3N4S
Molecular Weight336.34 g/mol
Exact Mass336.07
IUPAC NameN-[3-methyl-5-(trifluoromethyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESCc1cc(Nc2nccc(-c3nccs3)n2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H11F3N4S/c1-9-6-10(15(16,17)18)8-11(7-9)21-14-20-3-2-12(22-14)13-19-4-5-23-13/h2-8H,1H3,(H,20,21,22)
InChIKeyLZZSVMHMGFYOIP-UHFFFAOYSA-N
XLogP4.67
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-5-(trifluoromethyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The IUPAC name of N-[3-methyl-5-(trifluoromethyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine (CID 44593472) is N-[3-methyl-5-(trifluoromethyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[3-methyl-5-(trifluoromethyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The canonical SMILES for N-[3-methyl-5-(trifluoromethyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine is Cc1cc(Nc2nccc(-c3nccs3)n2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-methyl-5-(trifluoromethyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The InChIKey is LZZSVMHMGFYOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4S/c1-9-6-10(15(16,17)18)8-11(7-9)21-14-20-3-2-12(22-14)13-19-4-5-23-13/h2-8H,1H3,(H,20,21,22).
What are the key properties of N-[3-methyl-5-(trifluoromethyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
N-[3-methyl-5-(trifluoromethyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine has a molecular weight of 336.34 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-5-(trifluoromethyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 44593472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).