[5-(2-anilino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(3-fluorophenyl)methanone

C25H20FN3OS — CID 3231825

IUPAC[5-(2-anilino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(3-fluorophenyl)methanone
SMILESCc1sc(Nc2ccccc2)nc1-c1ccc2c(c1)CCN2C(=O)c1cccc(F)c1
InChIInChI=1S/C25H20FN3OS/c1-16-23(28-25(31-16)27-21-8-3-2-4-9-21)18-10-11-22-17(14-18)12-13-29(22)24(30)19-6-5-7-20(26)15-19/h2-11,14-15H,12-13H2,1H3,(H,27,28)
InChIKeyBJFCXIZHQBGJDA-UHFFFAOYSA-N
MW429.52 g/mol
LogP6.20
Rot. Bonds4

About [5-(2-anilino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(3-fluorophenyl)methanone

[5-(2-anilino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(3-fluorophenyl)methanone (PubChem CID 3231825) has the molecular formula C25H20FN3OS and a molecular weight of 429.52 g/mol. Its IUPAC name is [5-(2-anilino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[5-(2-anilino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(3-fluorophenyl)methanone
PubChem CID3231825
Molecular FormulaC25H20FN3OS
Molecular Weight429.52 g/mol
Exact Mass429.13
IUPAC Name[5-(2-anilino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(3-fluorophenyl)methanone
SMILESCc1sc(Nc2ccccc2)nc1-c1ccc2c(c1)CCN2C(=O)c1cccc(F)c1
InChIInChI=1S/C25H20FN3OS/c1-16-23(28-25(31-16)27-21-8-3-2-4-9-21)18-10-11-22-17(14-18)12-13-29(22)24(30)19-6-5-7-20(26)15-19/h2-11,14-15H,12-13H2,1H3,(H,27,28)
InChIKeyBJFCXIZHQBGJDA-UHFFFAOYSA-N
XLogP6.20
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 3231828
[5-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(3-methylphenyl)methanone
CID 1450308
[5-[2-(cyclopentylamino)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(4-fluorophenyl)methanone
CID 1450246
N-[5-methyl-4-[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2,2-diphenylacetamide
CID 2064430
[5-[2-(cyclopentylamino)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(2-fluorophenyl)methanone
CID 1450242
N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
CID 3231861
N-[5-methyl-4-[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
CID 1450529
2-[cyclohexyl(methyl)amino]-N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]acetamide
CID 3231879
1-(3-fluorobenzoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 43853224
N-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 3231852
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
N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 1451102

Frequently Asked Questions

What is the IUPAC name of [5-(2-anilino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [5-(2-anilino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(3-fluorophenyl)methanone (CID 3231825) is [5-(2-anilino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [5-(2-anilino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [5-(2-anilino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(3-fluorophenyl)methanone is Cc1sc(Nc2ccccc2)nc1-c1ccc2c(c1)CCN2C(=O)c1cccc(F)c1.
What is the InChIKey of [5-(2-anilino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(3-fluorophenyl)methanone?
The InChIKey is BJFCXIZHQBGJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3OS/c1-16-23(28-25(31-16)27-21-8-3-2-4-9-21)18-10-11-22-17(14-18)12-13-29(22)24(30)19-6-5-7-20(26)15-19/h2-11,14-15H,12-13H2,1H3,(H,27,28).
What are the key properties of [5-(2-anilino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(3-fluorophenyl)methanone?
[5-(2-anilino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(3-fluorophenyl)methanone has a molecular weight of 429.52 g/mol, XLogP of 6.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-anilino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 3231825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).