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

C14H11F3N4O4S — CID 46917308

IUPAC2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
SMILESCn1c(=O)c2c(CC(=O)Nc3nc(C(F)(F)F)cs3)coc2n(C)c1=O
InChIInChI=1S/C14H11F3N4O4S/c1-20-10(23)9-6(4-25-11(9)21(2)13(20)24)3-8(22)19-12-18-7(5-26-12)14(15,16)17/h4-5H,3H2,1-2H3,(H,18,19,22)
InChIKeyWMXQKRJDFQKJPF-UHFFFAOYSA-N
MW388.33 g/mol
LogP1.49
Rot. Bonds3

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

2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 46917308) has the molecular formula C14H11F3N4O4S and a molecular weight of 388.33 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID46917308
Molecular FormulaC14H11F3N4O4S
Molecular Weight388.33 g/mol
Exact Mass388.05
IUPAC Name2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
SMILESCn1c(=O)c2c(CC(=O)Nc3nc(C(F)(F)F)cs3)coc2n(C)c1=O
InChIInChI=1S/C14H11F3N4O4S/c1-20-10(23)9-6(4-25-11(9)21(2)13(20)24)3-8(22)19-12-18-7(5-26-12)14(15,16)17/h4-5H,3H2,1-2H3,(H,18,19,22)
InChIKeyWMXQKRJDFQKJPF-UHFFFAOYSA-N
XLogP1.49
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.33
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide (CID 46917308) is 2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide is Cn1c(=O)c2c(CC(=O)Nc3nc(C(F)(F)F)cs3)coc2n(C)c1=O.
What is the InChIKey of 2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is WMXQKRJDFQKJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O4S/c1-20-10(23)9-6(4-25-11(9)21(2)13(20)24)3-8(22)19-12-18-7(5-26-12)14(15,16)17/h4-5H,3H2,1-2H3,(H,18,19,22).
What are the key properties of 2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 388.33 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 46917308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).