N-[4-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide;N-[4-[2,3-difluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide

C45H39Cl2F5N8O9S2 — CID 158140308

About N-[4-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide;N-[4-[2,3-difluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide

N-[4-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide;N-[4-[2,3-difluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide (PubChem CID 158140308) has the molecular formula C45H39Cl2F5N8O9S2 and a molecular weight of 1065.88 g/mol. Its IUPAC name is N-[4-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide;N-[4-[2,3-difluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide.

Molecular Properties

• Compound Name: N-[4-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide;N-[4-[2,3-difluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide
• PubChem CID: 158140308
• Molecular Formula: C45H39Cl2F5N8O9S2
• Molecular Weight: 1065.88 g/mol
• Exact Mass: 1064.16
• IUPAC Name: N-[4-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide;N-[4-[2,3-difluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide
• SMILES: Cc1oc2c(c1CC(=O)Nc1nc(-c3cc(Cl)c(OCC(C)C)c(Cl)c3)cs1)c(=O)n(C)c(=O)n2C.Cc1oc2c(c1CC(=O)Nc1nc(-c3ccc(C(F)(F)F)c(F)c3F)cs1)c(=O)n(C)c(=O)n2C
• InChI: InChI=1S/C24H24Cl2N4O5S.C21H15F5N4O4S/c1-11(2)9-34-20-15(25)6-13(7-16(20)26)17-10-36-23(27-17)28-18(31)8-14-12(3)35-22-19(14)21(32)29(4)24(33)30(22)5;1-8-10(14-17(32)29(2)20(33)30(3)18(14)34-8)6-13(31)28-19-27-12(7-35-19)9-4-5-11(21(24,25)26)16(23)15(9)22/h6-7,10-11H,8-9H2,1-5H3,(H,27,28,31);4-5,7H,6H2,1-3H3,(H,27,28,31)
• InChIKey: FTVVSWCOISSEQP-UHFFFAOYSA-N
• XLogP: 8.53
• TPSA: 207.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 11
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1065.88
LogP ≤ 5	8.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of N-[4-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide;N-[4-[2,3-difluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide?

The IUPAC name of N-[4-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide;N-[4-[2,3-difluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide (CID 158140308) is N-[4-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide;N-[4-[2,3-difluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide.

What is the SMILES notation for N-[4-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide;N-[4-[2,3-difluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide?

The canonical SMILES for N-[4-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide;N-[4-[2,3-difluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide is Cc1oc2c(c1CC(=O)Nc1nc(-c3cc(Cl)c(OCC(C)C)c(Cl)c3)cs1)c(=O)n(C)c(=O)n2C.Cc1oc2c(c1CC(=O)Nc1nc(-c3ccc(C(F)(F)F)c(F)c3F)cs1)c(=O)n(C)c(=O)n2C.

What is the InChIKey of N-[4-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide;N-[4-[2,3-difluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide?

The InChIKey is FTVVSWCOISSEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N4O5S.C21H15F5N4O4S/c1-11(2)9-34-20-15(25)6-13(7-16(20)26)17-10-36-23(27-17)28-18(31)8-14-12(3)35-22-19(14)21(32)29(4)24(33)30(22)5;1-8-10(14-17(32)29(2)20(33)30(3)18(14)34-8)6-13(31)28-19-27-12(7-35-19)9-4-5-11(21(24,25)26)16(23)15(9)22/h6-7,10-11H,8-9H2,1-5H3,(H,27,28,31);4-5,7H,6H2,1-3H3,(H,27,28,31).

What are the key properties of N-[4-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide;N-[4-[2,3-difluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide?

N-[4-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide;N-[4-[2,3-difluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide has a molecular weight of 1065.88 g/mol, XLogP of 8.53, 11 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide;N-[4-[2,3-difluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 158140308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).