N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide

C22H20FN3O3S — CID 31992446

IUPACN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)Cc3c(C)[nH]c4ccc(F)cc34)n2)c1
InChIInChI=1S/C22H20FN3O3S/c1-12-15(16-8-13(23)4-6-18(16)24-12)10-21(27)26-22-25-19(11-30-22)17-9-14(28-2)5-7-20(17)29-3/h4-9,11,24H,10H2,1-3H3,(H,25,26,27)
InChIKeyANYYGVKNOGOJRC-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.94
Rot. Bonds6

About N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide (PubChem CID 31992446) has the molecular formula C22H20FN3O3S and a molecular weight of 425.49 g/mol. Its IUPAC name is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
PubChem CID31992446
Molecular FormulaC22H20FN3O3S
Molecular Weight425.49 g/mol
Exact Mass425.12
IUPAC NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)Cc3c(C)[nH]c4ccc(F)cc34)n2)c1
InChIInChI=1S/C22H20FN3O3S/c1-12-15(16-8-13(23)4-6-18(16)24-12)10-21(27)26-22-25-19(11-30-22)17-9-14(28-2)5-7-20(17)29-3/h4-9,11,24H,10H2,1-3H3,(H,25,26,27)
InChIKeyANYYGVKNOGOJRC-UHFFFAOYSA-N
XLogP4.94
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide (CID 31992446) is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide is COc1ccc(OC)c(-c2csc(NC(=O)Cc3c(C)[nH]c4ccc(F)cc34)n2)c1.
What is the InChIKey of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide?
The InChIKey is ANYYGVKNOGOJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3S/c1-12-15(16-8-13(23)4-6-18(16)24-12)10-21(27)26-22-25-19(11-30-22)17-9-14(28-2)5-7-20(17)29-3/h4-9,11,24H,10H2,1-3H3,(H,25,26,27).
What are the key properties of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide?
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide has a molecular weight of 425.49 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 31992446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).