4-ethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

C17H15F3N6OS — CID 154569739

IUPAC4-ethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(-c2ncccn2)sc1C(=O)NCc1nc(C)cc(C(F)(F)F)n1
InChIInChI=1S/C17H15F3N6OS/c1-3-10-13(28-16(25-10)14-21-5-4-6-22-14)15(27)23-8-12-24-9(2)7-11(26-12)17(18,19)20/h4-7H,3,8H2,1-2H3,(H,23,27)
InChIKeyZBZCEAINPPAGGG-UHFFFAOYSA-N
MW408.41 g/mol
LogP3.21
Rot. Bonds5

About 4-ethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

4-ethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 154569739) has the molecular formula C17H15F3N6OS and a molecular weight of 408.41 g/mol. Its IUPAC name is 4-ethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID154569739
Molecular FormulaC17H15F3N6OS
Molecular Weight408.41 g/mol
Exact Mass408.10
IUPAC Name4-ethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(-c2ncccn2)sc1C(=O)NCc1nc(C)cc(C(F)(F)F)n1
InChIInChI=1S/C17H15F3N6OS/c1-3-10-13(28-16(25-10)14-21-5-4-6-22-14)15(27)23-8-12-24-9(2)7-11(26-12)17(18,19)20/h4-7H,3,8H2,1-2H3,(H,23,27)
InChIKeyZBZCEAINPPAGGG-UHFFFAOYSA-N
XLogP3.21
TPSA93.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (CID 154569739) is 4-ethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is CCc1nc(-c2ncccn2)sc1C(=O)NCc1nc(C)cc(C(F)(F)F)n1.
What is the InChIKey of 4-ethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is ZBZCEAINPPAGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N6OS/c1-3-10-13(28-16(25-10)14-21-5-4-6-22-14)15(27)23-8-12-24-9(2)7-11(26-12)17(18,19)20/h4-7H,3,8H2,1-2H3,(H,23,27).
What are the key properties of 4-ethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
4-ethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 408.41 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 154569739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).