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

C19H12F4N4O3S2 — CID 89028073

IUPACN-[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
SMILESCn1c(=O)[nH]c2scc(CC(=O)Nc3nc(-c4cccc(C(F)(F)F)c4F)cs3)c2c1=O
InChIInChI=1S/C19H12F4N4O3S2/c1-27-16(29)13-8(6-31-15(13)26-18(27)30)5-12(28)25-17-24-11(7-32-17)9-3-2-4-10(14(9)20)19(21,22)23/h2-4,6-7H,5H2,1H3,(H,26,30)(H,24,25,28)
InChIKeyOSUYTUFLYGPQOJ-UHFFFAOYSA-N
MW484.46 g/mol
LogP3.75
Rot. Bonds4

About 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

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 (PubChem CID 89028073) has the molecular formula C19H12F4N4O3S2 and a molecular weight of 484.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID89028073
Molecular FormulaC19H12F4N4O3S2
Molecular Weight484.46 g/mol
Exact Mass484.03
IUPAC NameN-[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
SMILESCn1c(=O)[nH]c2scc(CC(=O)Nc3nc(-c4cccc(C(F)(F)F)c4F)cs3)c2c1=O
InChIInChI=1S/C19H12F4N4O3S2/c1-27-16(29)13-8(6-31-15(13)26-18(27)30)5-12(28)25-17-24-11(7-32-17)9-3-2-4-10(14(9)20)19(21,22)23/h2-4,6-7H,5H2,1H3,(H,26,30)(H,24,25,28)
InChIKeyOSUYTUFLYGPQOJ-UHFFFAOYSA-N
XLogP3.75
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.46
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
CID 118023868
CID 118023868
4-[2,4-difluoro-3-(trifluoromethyl)phenyl]-N-[2-(3-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-5-yl)acetyl]-1,3-thiazol-2-amine oxide
CID 163756757
N-[4-[2,3-difluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide
CID 44594710
2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(2-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 44595699
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
N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-4-iodobenzamide
CID 86232371
2-(3-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-5-yl)acetic acid
CID 70848586
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
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-(5,7-dimethyl-4,6-dioxo-[1,2]oxazolo[3,4-d]pyrimidin-3-yl)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 88904480
N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-4-(3H-1,2,4-triazin-2-ylamino)benzamide
CID 87740028

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1c(=O)[nH]c2scc(CC(=O)Nc3nc(-c4cccc(C(F)(F)F)c4F)cs3)c2c1=O.
What is the InChIKey of 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?
The InChIKey is OSUYTUFLYGPQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F4N4O3S2/c1-27-16(29)13-8(6-31-15(13)26-18(27)30)5-12(28)25-17-24-11(7-32-17)9-3-2-4-10(14(9)20)19(21,22)23/h2-4,6-7H,5H2,1H3,(H,26,30)(H,24,25,28).
What are the key properties of 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?
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 has a molecular weight of 484.46 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 89028073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).