N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide

C25H25FN4O3S — CID 3231861

IUPACN-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
SMILESCc1sc(NC(=O)CN2CCOCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccc(F)cc1
InChIInChI=1S/C25H25FN4O3S/c1-16-23(28-25(34-16)27-22(31)15-29-10-12-33-13-11-29)19-4-7-21-18(14-19)8-9-30(21)24(32)17-2-5-20(26)6-3-17/h2-7,14H,8-13,15H2,1H3,(H,27,28,31)
InChIKeyDAKKZUXILBZJMK-UHFFFAOYSA-N
MW480.57 g/mol
LogP3.73
Rot. Bonds5

About N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide

N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide (PubChem CID 3231861) has the molecular formula C25H25FN4O3S and a molecular weight of 480.57 g/mol. Its IUPAC name is N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
PubChem CID3231861
Molecular FormulaC25H25FN4O3S
Molecular Weight480.57 g/mol
Exact Mass480.16
IUPAC NameN-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
SMILESCc1sc(NC(=O)CN2CCOCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccc(F)cc1
InChIInChI=1S/C25H25FN4O3S/c1-16-23(28-25(34-16)27-22(31)15-29-10-12-33-13-11-29)19-4-7-21-18(14-19)8-9-30(21)24(32)17-2-5-20(26)6-3-17/h2-7,14H,8-13,15H2,1H3,(H,27,28,31)
InChIKeyDAKKZUXILBZJMK-UHFFFAOYSA-N
XLogP3.73
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-methyl-4-[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
CID 1450529
N-[5-methyl-4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
CID 1451028
N-[4-[1-(cyclohexanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
CID 6490094
2-(1,3-benzodioxol-5-yl)-N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]acetamide
CID 1450426
2-[cyclohexyl(methyl)amino]-N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]acetamide
CID 3231879
[5-[2-(cyclopentylamino)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(4-fluorophenyl)methanone
CID 1450246
N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide
CID 1450514
2-(azepan-1-yl)-N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]acetamide
CID 1451004
N-[5-methyl-4-[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2,2-diphenylacetamide
CID 2064430
2-(4-methoxyphenyl)-N-[5-methyl-4-[1-[4-[3-(trifluoromethyl)diaziridin-3-yl]benzoyl]-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide
CID 90448881
N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ium-4-ylacetamide
CID 6983806
[5-(2-anilino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(3-fluorophenyl)methanone
CID 3231825

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide (CID 3231861) is N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide is Cc1sc(NC(=O)CN2CCOCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccc(F)cc1.
What is the InChIKey of N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide?
The InChIKey is DAKKZUXILBZJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O3S/c1-16-23(28-25(34-16)27-22(31)15-29-10-12-33-13-11-29)19-4-7-21-18(14-19)8-9-30(21)24(32)17-2-5-20(26)6-3-17/h2-7,14H,8-13,15H2,1H3,(H,27,28,31).
What are the key properties of N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide?
N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide has a molecular weight of 480.57 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 3231861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).