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

C20H12F5N5O3S — CID 89012897

IUPACN-[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
SMILESCn1c(=O)[nH]c2ccnc(CC(=O)Nc3nc(-c4cc(F)c(C(F)(F)F)c(F)c4)cs3)c2c1=O
InChIInChI=1S/C20H12F5N5O3S/c1-30-17(32)15-11(28-19(30)33)2-3-26-12(15)6-14(31)29-18-27-13(7-34-18)8-4-9(21)16(10(22)5-8)20(23,24)25/h2-5,7H,6H2,1H3,(H,28,33)(H,27,29,31)
InChIKeyDWUVMPFBUADANI-UHFFFAOYSA-N
MW497.41 g/mol
LogP3.22
Rot. Bonds4

About 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

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 (PubChem CID 89012897) has the molecular formula C20H12F5N5O3S and a molecular weight of 497.41 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID89012897
Molecular FormulaC20H12F5N5O3S
Molecular Weight497.41 g/mol
Exact Mass497.06
IUPAC NameN-[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
SMILESCn1c(=O)[nH]c2ccnc(CC(=O)Nc3nc(-c4cc(F)c(C(F)(F)F)c(F)c4)cs3)c2c1=O
InChIInChI=1S/C20H12F5N5O3S/c1-30-17(32)15-11(28-19(30)33)2-3-26-12(15)6-14(31)29-18-27-13(7-34-18)8-4-9(21)16(10(22)5-8)20(23,24)25/h2-5,7H,6H2,1H3,(H,28,33)(H,27,29,31)
InChIKeyDWUVMPFBUADANI-UHFFFAOYSA-N
XLogP3.22
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.41
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
N-[4-[4-chloro-3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(3-methyl-2,4-dioxo-1H-pyrido[4,3-d]pyrimidin-5-yl)acetamide
CID 89012841
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-[2,6-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
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-(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-ethyl-3,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)acetamide
CID 91535260
N-[4-(4-ethyl-3,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(1-ethyl-3-methyl-2,4-dioxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl)acetamide
CID 91434292
2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)-N-[4-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 90905567
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
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-[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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1c(=O)[nH]c2ccnc(CC(=O)Nc3nc(-c4cc(F)c(C(F)(F)F)c(F)c4)cs3)c2c1=O.
What is the InChIKey of 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?
The InChIKey is DWUVMPFBUADANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F5N5O3S/c1-30-17(32)15-11(28-19(30)33)2-3-26-12(15)6-14(31)29-18-27-13(7-34-18)8-4-9(21)16(10(22)5-8)20(23,24)25/h2-5,7H,6H2,1H3,(H,28,33)(H,27,29,31).
What are the key properties of 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?
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 has a molecular weight of 497.41 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 89012897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).