4,6-diethoxy-N-[5-ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide

C15H17F3N4O3S — CID 135312690

About 4,6-diethoxy-N-[5-ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide

4,6-diethoxy-N-[5-ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide (PubChem CID 135312690) has the molecular formula C15H17F3N4O3S and a molecular weight of 390.39 g/mol. Its IUPAC name is 4,6-diethoxy-N-[5-ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 4,6-diethoxy-N-[5-ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide
• PubChem CID: 135312690
• Molecular Formula: C15H17F3N4O3S
• Molecular Weight: 390.39 g/mol
• Exact Mass: 390.10
• IUPAC Name: 4,6-diethoxy-N-[5-ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide
• SMILES: CCOc1ncnc(OCC)c1C(=O)Nc1nc(C(F)(F)F)c(CC)s1
• InChI: InChI=1S/C15H17F3N4O3S/c1-4-8-10(15(16,17)18)21-14(26-8)22-11(23)9-12(24-5-2)19-7-20-13(9)25-6-3/h7H,4-6H2,1-3H3,(H,21,22,23)
• InChIKey: GTUDRWWUOHHDML-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 86.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.39
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4,6-diethoxy-N-[5-ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide?

The IUPAC name of 4,6-diethoxy-N-[5-ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide (CID 135312690) is 4,6-diethoxy-N-[5-ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide.

What is the SMILES notation for 4,6-diethoxy-N-[5-ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide?

The canonical SMILES for 4,6-diethoxy-N-[5-ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide is CCOc1ncnc(OCC)c1C(=O)Nc1nc(C(F)(F)F)c(CC)s1.

What is the InChIKey of 4,6-diethoxy-N-[5-ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide?

The InChIKey is GTUDRWWUOHHDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O3S/c1-4-8-10(15(16,17)18)21-14(26-8)22-11(23)9-12(24-5-2)19-7-20-13(9)25-6-3/h7H,4-6H2,1-3H3,(H,21,22,23).

What are the key properties of 4,6-diethoxy-N-[5-ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide?

4,6-diethoxy-N-[5-ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide has a molecular weight of 390.39 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4,6-diethoxy-N-[5-ethyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 135312690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).