N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide

C17H12F2N4O4S — CID 46917309

IUPACN-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide
SMILESCn1c(=O)c2c(CC(=O)Nc3nc4c(F)cc(F)cc4s3)coc2n(C)c1=O
InChIInChI=1S/C17H12F2N4O4S/c1-22-14(25)12-7(6-27-15(12)23(2)17(22)26)3-11(24)20-16-21-13-9(19)4-8(18)5-10(13)28-16/h4-6H,3H2,1-2H3,(H,20,21,24)
InChIKeyUHIZBFRFCADHDK-UHFFFAOYSA-N
MW406.37 g/mol
LogP1.90
Rot. Bonds3

About N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide

N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide (PubChem CID 46917309) has the molecular formula C17H12F2N4O4S and a molecular weight of 406.37 g/mol. Its IUPAC name is N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide
PubChem CID46917309
Molecular FormulaC17H12F2N4O4S
Molecular Weight406.37 g/mol
Exact Mass406.05
IUPAC NameN-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide
SMILESCn1c(=O)c2c(CC(=O)Nc3nc4c(F)cc(F)cc4s3)coc2n(C)c1=O
InChIInChI=1S/C17H12F2N4O4S/c1-22-14(25)12-7(6-27-15(12)23(2)17(22)26)3-11(24)20-16-21-13-9(19)4-8(18)5-10(13)28-16/h4-6H,3H2,1-2H3,(H,20,21,24)
InChIKeyUHIZBFRFCADHDK-UHFFFAOYSA-N
XLogP1.90
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide?
The IUPAC name of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide (CID 46917309) is N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide?
The canonical SMILES for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide is Cn1c(=O)c2c(CC(=O)Nc3nc4c(F)cc(F)cc4s3)coc2n(C)c1=O.
What is the InChIKey of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide?
The InChIKey is UHIZBFRFCADHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N4O4S/c1-22-14(25)12-7(6-27-15(12)23(2)17(22)26)3-11(24)20-16-21-13-9(19)4-8(18)5-10(13)28-16/h4-6H,3H2,1-2H3,(H,20,21,24).
What are the key properties of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide?
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide has a molecular weight of 406.37 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 46917309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).