N-[4-[2,6-difluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,6-dimethyl-2,4-dioxo-1H-furo[2,3-d]pyrimidin-5-yl)acetamide

C20H13F5N4O4S — CID 91125657

IUPACN-[4-[2,6-difluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,6-dimethyl-2,4-dioxo-1H-furo[2,3-d]pyrimidin-5-yl)acetamide
SMILESCc1oc2[nH]c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(-c2c(F)ccc(C(F)(F)F)c2F)cs1
InChIInChI=1S/C20H13F5N4O4S/c1-7-8(13-16(33-7)28-19(32)29(2)17(13)31)5-12(30)27-18-26-11(6-34-18)14-10(21)4-3-9(15(14)22)20(23,24)25/h3-4,6H,5H2,1-2H3,(H,28,32)(H,26,27,30)
InChIKeyZPZDRLJMYIDHJR-UHFFFAOYSA-N
MW500.41 g/mol
LogP3.73
Rot. Bonds4

About N-[4-[2,6-difluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,6-dimethyl-2,4-dioxo-1H-furo[2,3-d]pyrimidin-5-yl)acetamide

N-[4-[2,6-difluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,6-dimethyl-2,4-dioxo-1H-furo[2,3-d]pyrimidin-5-yl)acetamide (PubChem CID 91125657) has the molecular formula C20H13F5N4O4S and a molecular weight of 500.41 g/mol. Its IUPAC name is N-[4-[2,6-difluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,6-dimethyl-2,4-dioxo-1H-furo[2,3-d]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[4-[2,6-difluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,6-dimethyl-2,4-dioxo-1H-furo[2,3-d]pyrimidin-5-yl)acetamide
PubChem CID91125657
Molecular FormulaC20H13F5N4O4S
Molecular Weight500.41 g/mol
Exact Mass500.06
IUPAC NameN-[4-[2,6-difluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,6-dimethyl-2,4-dioxo-1H-furo[2,3-d]pyrimidin-5-yl)acetamide
SMILESCc1oc2[nH]c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(-c2c(F)ccc(C(F)(F)F)c2F)cs1
InChIInChI=1S/C20H13F5N4O4S/c1-7-8(13-16(33-7)28-19(32)29(2)17(13)31)5-12(30)27-18-26-11(6-34-18)14-10(21)4-3-9(15(14)22)20(23,24)25/h3-4,6H,5H2,1-2H3,(H,28,32)(H,26,27,30)
InChIKeyZPZDRLJMYIDHJR-UHFFFAOYSA-N
XLogP3.73
TPSA109.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.41
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[2,6-difluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,6-dimethyl-2,4-dioxo-1H-furo[2,3-d]pyrimidin-5-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(3-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-5-yl)acetamide
CID 89028073
N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide
CID 46918029
N-[4-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide
CID 46918233
2-[2-[[4-[2,6-difluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-methyl-6-(methylamino)benzamide
CID 91298242
N-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(3-methyl-2,4-dioxo-1H-pyrido[4,3-d]pyrimidin-5-yl)acetamide
CID 89012897
2-(5,7-dimethyl-4,6-dioxo-[1,2]oxazolo[3,4-d]pyrimidin-3-yl)-N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 53390111
2-(3-cyclopropyl-1,6-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 87293373
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methyl-2,4-dioxo-1H-pyrido[4,3-d]pyrimidin-5-yl)acetamide
CID 89012834
2-(6-chloro-1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)-N-[4-[4-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide
CID 53391244
CID 118023868
CID 118023868
N-[4-[4-fluoro-3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxothieno[2,3-d]pyrimidin-5-yl)acetamide
CID 46926860
2-(6-bromo-1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)-N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide
CID 53391331

Frequently Asked Questions

What is the IUPAC name of N-[4-[2,6-difluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,6-dimethyl-2,4-dioxo-1H-furo[2,3-d]pyrimidin-5-yl)acetamide?
The IUPAC name of N-[4-[2,6-difluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,6-dimethyl-2,4-dioxo-1H-furo[2,3-d]pyrimidin-5-yl)acetamide (CID 91125657) is N-[4-[2,6-difluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,6-dimethyl-2,4-dioxo-1H-furo[2,3-d]pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[4-[2,6-difluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,6-dimethyl-2,4-dioxo-1H-furo[2,3-d]pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[4-[2,6-difluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,6-dimethyl-2,4-dioxo-1H-furo[2,3-d]pyrimidin-5-yl)acetamide is Cc1oc2[nH]c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(-c2c(F)ccc(C(F)(F)F)c2F)cs1.
What is the InChIKey of N-[4-[2,6-difluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,6-dimethyl-2,4-dioxo-1H-furo[2,3-d]pyrimidin-5-yl)acetamide?
The InChIKey is ZPZDRLJMYIDHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F5N4O4S/c1-7-8(13-16(33-7)28-19(32)29(2)17(13)31)5-12(30)27-18-26-11(6-34-18)14-10(21)4-3-9(15(14)22)20(23,24)25/h3-4,6H,5H2,1-2H3,(H,28,32)(H,26,27,30).
What are the key properties of N-[4-[2,6-difluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,6-dimethyl-2,4-dioxo-1H-furo[2,3-d]pyrimidin-5-yl)acetamide?
N-[4-[2,6-difluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,6-dimethyl-2,4-dioxo-1H-furo[2,3-d]pyrimidin-5-yl)acetamide has a molecular weight of 500.41 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2,6-difluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,6-dimethyl-2,4-dioxo-1H-furo[2,3-d]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 91125657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).