N-[4-[3,5-dichloro-4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide

C20H14Cl2F2N4O5S — CID 46917759

IUPACN-[4-[3,5-dichloro-4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide
SMILESCn1c(=O)c2c(CC(=O)Nc3nc(-c4cc(Cl)c(OC(F)F)c(Cl)c4)cs3)coc2n(C)c1=O
InChIInChI=1S/C20H14Cl2F2N4O5S/c1-27-16(30)14-9(6-32-17(14)28(2)20(27)31)5-13(29)26-19-25-12(7-34-19)8-3-10(21)15(11(22)4-8)33-18(23)24/h3-4,6-7,18H,5H2,1-2H3,(H,25,26,29)
InChIKeyXZJATQPHBMPPOQ-UHFFFAOYSA-N
MW531.32 g/mol
LogP4.04
Rot. Bonds6

About N-[4-[3,5-dichloro-4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide

N-[4-[3,5-dichloro-4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide (PubChem CID 46917759) has the molecular formula C20H14Cl2F2N4O5S and a molecular weight of 531.32 g/mol. Its IUPAC name is N-[4-[3,5-dichloro-4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[4-[3,5-dichloro-4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide
PubChem CID46917759
Molecular FormulaC20H14Cl2F2N4O5S
Molecular Weight531.32 g/mol
Exact Mass530.00
IUPAC NameN-[4-[3,5-dichloro-4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide
SMILESCn1c(=O)c2c(CC(=O)Nc3nc(-c4cc(Cl)c(OC(F)F)c(Cl)c4)cs3)coc2n(C)c1=O
InChIInChI=1S/C20H14Cl2F2N4O5S/c1-27-16(30)14-9(6-32-17(14)28(2)20(27)31)5-13(29)26-19-25-12(7-34-19)8-3-10(21)15(11(22)4-8)33-18(23)24/h3-4,6-7,18H,5H2,1-2H3,(H,25,26,29)
InChIKeyXZJATQPHBMPPOQ-UHFFFAOYSA-N
XLogP4.04
TPSA108.36 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.32
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3,5-dichloro-4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide?
The IUPAC name of N-[4-[3,5-dichloro-4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide (CID 46917759) is N-[4-[3,5-dichloro-4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[4-[3,5-dichloro-4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[4-[3,5-dichloro-4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide is Cn1c(=O)c2c(CC(=O)Nc3nc(-c4cc(Cl)c(OC(F)F)c(Cl)c4)cs3)coc2n(C)c1=O.
What is the InChIKey of N-[4-[3,5-dichloro-4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide?
The InChIKey is XZJATQPHBMPPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2F2N4O5S/c1-27-16(30)14-9(6-32-17(14)28(2)20(27)31)5-13(29)26-19-25-12(7-34-19)8-3-10(21)15(11(22)4-8)33-18(23)24/h3-4,6-7,18H,5H2,1-2H3,(H,25,26,29).
What are the key properties of N-[4-[3,5-dichloro-4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide?
N-[4-[3,5-dichloro-4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide has a molecular weight of 531.32 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3,5-dichloro-4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 46917759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).