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

C16H13F3N4S — CID 6539287

IUPAC4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESCc1nc(C)c(-c2ccnc(Nc3ccccc3C(F)(F)F)n2)s1
InChIInChI=1S/C16H13F3N4S/c1-9-14(24-10(2)21-9)13-7-8-20-15(23-13)22-12-6-4-3-5-11(12)16(17,18)19/h3-8H,1-2H3,(H,20,22,23)
InChIKeyIMTFOOWOQIKQFL-UHFFFAOYSA-N
MW350.37 g/mol
LogP4.98
Rot. Bonds3

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

4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine (PubChem CID 6539287) has the molecular formula C16H13F3N4S and a molecular weight of 350.37 g/mol. Its IUPAC name is 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine
PubChem CID6539287
Molecular FormulaC16H13F3N4S
Molecular Weight350.37 g/mol
Exact Mass350.08
IUPAC Name4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESCc1nc(C)c(-c2ccnc(Nc3ccccc3C(F)(F)F)n2)s1
InChIInChI=1S/C16H13F3N4S/c1-9-14(24-10(2)21-9)13-7-8-20-15(23-13)22-12-6-4-3-5-11(12)16(17,18)19/h3-8H,1-2H3,(H,20,22,23)
InChIKeyIMTFOOWOQIKQFL-UHFFFAOYSA-N
XLogP4.98
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The IUPAC name of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine (CID 6539287) is 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine is Cc1nc(C)c(-c2ccnc(Nc3ccccc3C(F)(F)F)n2)s1.
What is the InChIKey of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The InChIKey is IMTFOOWOQIKQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4S/c1-9-14(24-10(2)21-9)13-7-8-20-15(23-13)22-12-6-4-3-5-11(12)16(17,18)19/h3-8H,1-2H3,(H,20,22,23).
What are the key properties of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine?
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine has a molecular weight of 350.37 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 6539287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).