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

C20H17F2N5O3S — CID 91535260

IUPACN-[4-(4-ethyl-3,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)acetamide
SMILESCCc1c(F)cc(-c2csc(NC(=O)Cn3ccc4c3c(=O)[nH]c(=O)n4C)n2)cc1F
InChIInChI=1S/C20H17F2N5O3S/c1-3-11-12(21)6-10(7-13(11)22)14-9-31-19(23-14)24-16(28)8-27-5-4-15-17(27)18(29)25-20(30)26(15)2/h4-7,9H,3,8H2,1-2H3,(H,23,24,28)(H,25,29,30)
InChIKeyGCNYEGXCMGBEFE-UHFFFAOYSA-N
MW445.45 g/mol
LogP2.63
Rot. Bonds5

About 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

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 (PubChem CID 91535260) has the molecular formula C20H17F2N5O3S and a molecular weight of 445.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[4-(4-ethyl-3,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)acetamide
PubChem CID91535260
Molecular FormulaC20H17F2N5O3S
Molecular Weight445.45 g/mol
Exact Mass445.10
IUPAC NameN-[4-(4-ethyl-3,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)acetamide
SMILESCCc1c(F)cc(-c2csc(NC(=O)Cn3ccc4c3c(=O)[nH]c(=O)n4C)n2)cc1F
InChIInChI=1S/C20H17F2N5O3S/c1-3-11-12(21)6-10(7-13(11)22)14-9-31-19(23-14)24-16(28)8-27-5-4-15-17(27)18(29)25-20(30)26(15)2/h4-7,9H,3,8H2,1-2H3,(H,23,24,28)(H,25,29,30)
InChIKeyGCNYEGXCMGBEFE-UHFFFAOYSA-N
XLogP2.63
TPSA101.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.45
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

N-[4-(3,5-dichloro-4-methylphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)acetamide
CID 91464217
2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 46947247
N-[4-[4-(cyclobutylmethoxy)-3,5-difluorophenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)acetamide
CID 86662206
N-[4-[3-chloro-5-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)acetamide
CID 86662202
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
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4,7-dimethyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide
CID 87424153
2-(4,6-dimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)-N-[4-(4-ethoxy-3-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 90181119
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-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(5,7-dimethyl-4-oxoimidazo[4,5-c]pyridin-3-yl)acetamide
CID 44603053
N-[4-[3,5-difluoro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3,9-trimethyl-2,6,8-trioxopurin-7-yl)acetamide
CID 87388778
N-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)acetamide
CID 86762207
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 5029397

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1c(F)cc(-c2csc(NC(=O)Cn3ccc4c3c(=O)[nH]c(=O)n4C)n2)cc1F.
What is the InChIKey of 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?
The InChIKey is GCNYEGXCMGBEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5O3S/c1-3-11-12(21)6-10(7-13(11)22)14-9-31-19(23-14)24-16(28)8-27-5-4-15-17(27)18(29)25-20(30)26(15)2/h4-7,9H,3,8H2,1-2H3,(H,23,24,28)(H,25,29,30).
What are the key properties of 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?
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 has a molecular weight of 445.45 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91535260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).