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

C19H14F2N4O4S — CID 46917383

IUPACN-[4-(3,4-difluorophenyl)-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(-c4ccc(F)c(F)c4)cs3)coc2n(C)c1=O
InChIInChI=1S/C19H14F2N4O4S/c1-24-16(27)15-10(7-29-17(15)25(2)19(24)28)6-14(26)23-18-22-13(8-30-18)9-3-4-11(20)12(21)5-9/h3-5,7-8H,6H2,1-2H3,(H,22,23,26)
InChIKeyUWPFCGRBFGYFDG-UHFFFAOYSA-N
MW432.41 g/mol
LogP2.41
Rot. Bonds4

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

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide (PubChem CID 46917383) has the molecular formula C19H14F2N4O4S and a molecular weight of 432.41 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide
PubChem CID46917383
Molecular FormulaC19H14F2N4O4S
Molecular Weight432.41 g/mol
Exact Mass432.07
IUPAC NameN-[4-(3,4-difluorophenyl)-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(-c4ccc(F)c(F)c4)cs3)coc2n(C)c1=O
InChIInChI=1S/C19H14F2N4O4S/c1-24-16(27)15-10(7-29-17(15)25(2)19(24)28)6-14(26)23-18-22-13(8-30-18)9-3-4-11(20)12(21)5-9/h3-5,7-8H,6H2,1-2H3,(H,22,23,26)
InChIKeyUWPFCGRBFGYFDG-UHFFFAOYSA-N
XLogP2.41
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluorophenyl)-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-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide (CID 46917383) is N-[4-(3,4-difluorophenyl)-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-(3,4-difluorophenyl)-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-(3,4-difluorophenyl)-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(-c4ccc(F)c(F)c4)cs3)coc2n(C)c1=O.
What is the InChIKey of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide?
The InChIKey is UWPFCGRBFGYFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O4S/c1-24-16(27)15-10(7-29-17(15)25(2)19(24)28)6-14(26)23-18-22-13(8-30-18)9-3-4-11(20)12(21)5-9/h3-5,7-8H,6H2,1-2H3,(H,22,23,26).
What are the key properties of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide?
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide has a molecular weight of 432.41 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 46917383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).