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

C22H21F2N5O3S — CID 91434292

IUPACN-[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
SMILESCCc1c(F)cc(-c2csc(NC(=O)Cc3c[nH]c4c3c(=O)n(C)c(=O)n4CC)n2)cc1F
InChIInChI=1S/C22H21F2N5O3S/c1-4-13-14(23)6-11(7-15(13)24)16-10-33-21(26-16)27-17(30)8-12-9-25-19-18(12)20(31)28(3)22(32)29(19)5-2/h6-7,9-10,25H,4-5,8H2,1-3H3,(H,26,27,30)
InChIKeyOHCPBHDPJYDENK-UHFFFAOYSA-N
MW473.51 g/mol
LogP3.19
Rot. Bonds6

About 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

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 (PubChem CID 91434292) has the molecular formula C22H21F2N5O3S and a molecular weight of 473.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID91434292
Molecular FormulaC22H21F2N5O3S
Molecular Weight473.51 g/mol
Exact Mass473.13
IUPAC NameN-[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
SMILESCCc1c(F)cc(-c2csc(NC(=O)Cc3c[nH]c4c3c(=O)n(C)c(=O)n4CC)n2)cc1F
InChIInChI=1S/C22H21F2N5O3S/c1-4-13-14(23)6-11(7-15(13)24)16-10-33-21(26-16)27-17(30)8-12-9-25-19-18(12)20(31)28(3)22(32)29(19)5-2/h6-7,9-10,25H,4-5,8H2,1-3H3,(H,26,27,30)
InChIKeyOHCPBHDPJYDENK-UHFFFAOYSA-N
XLogP3.19
TPSA101.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.51
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
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-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
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 24555100
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-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(2-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 44595699
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-[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-(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
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1c(F)cc(-c2csc(NC(=O)Cc3c[nH]c4c3c(=O)n(C)c(=O)n4CC)n2)cc1F.
What is the InChIKey of 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?
The InChIKey is OHCPBHDPJYDENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N5O3S/c1-4-13-14(23)6-11(7-15(13)24)16-10-33-21(26-16)27-17(30)8-12-9-25-19-18(12)20(31)28(3)22(32)29(19)5-2/h6-7,9-10,25H,4-5,8H2,1-3H3,(H,26,27,30).
What are the key properties of 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?
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 has a molecular weight of 473.51 g/mol, XLogP of 3.19, 6 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-ethyl-3-methyl-2,4-dioxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 91434292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).