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

C24H24FN3OS — CID 1450246

IUPAC[5-[2-(cyclopentylamino)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(4-fluorophenyl)methanone
SMILESCc1sc(NC2CCCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccc(F)cc1
InChIInChI=1S/C24H24FN3OS/c1-15-22(27-24(30-15)26-20-4-2-3-5-20)18-8-11-21-17(14-18)12-13-28(21)23(29)16-6-9-19(25)10-7-16/h6-11,14,20H,2-5,12-13H2,1H3,(H,26,27)
InChIKeyUBNBGISZYXPXOG-UHFFFAOYSA-N
MW421.54 g/mol
LogP5.82
Rot. Bonds4

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

[5-[2-(cyclopentylamino)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(4-fluorophenyl)methanone (PubChem CID 1450246) has the molecular formula C24H24FN3OS and a molecular weight of 421.54 g/mol. Its IUPAC name is [5-[2-(cyclopentylamino)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[5-[2-(cyclopentylamino)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(4-fluorophenyl)methanone
PubChem CID1450246
Molecular FormulaC24H24FN3OS
Molecular Weight421.54 g/mol
Exact Mass421.16
IUPAC Name[5-[2-(cyclopentylamino)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(4-fluorophenyl)methanone
SMILESCc1sc(NC2CCCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccc(F)cc1
InChIInChI=1S/C24H24FN3OS/c1-15-22(27-24(30-15)26-20-4-2-3-5-20)18-8-11-21-17(14-18)12-13-28(21)23(29)16-6-9-19(25)10-7-16/h6-11,14,20H,2-5,12-13H2,1H3,(H,26,27)
InChIKeyUBNBGISZYXPXOG-UHFFFAOYSA-N
XLogP5.82
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[2-(cyclopentylamino)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(2-fluorophenyl)methanone
CID 1450242
2-[cyclohexyl(methyl)amino]-N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]acetamide
CID 3231879
N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
CID 3231861
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-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
CID 1450529
[5-(2-anilino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(3-fluorophenyl)methanone
CID 3231825
[5-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(3-methylphenyl)methanone
CID 1450308
N-[5-methyl-4-[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2,2-diphenylacetamide
CID 2064430
[5-[2-(cyclohexylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(3-fluorophenyl)methanone
CID 1450282
N-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 3231828
N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 1451102
1-(4-chlorophenyl)-N-[5-methyl-4-[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]cyclobutane-1-carboxamide
CID 2064413

Frequently Asked Questions

What is the IUPAC name of [5-[2-(cyclopentylamino)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [5-[2-(cyclopentylamino)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(4-fluorophenyl)methanone (CID 1450246) is [5-[2-(cyclopentylamino)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [5-[2-(cyclopentylamino)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [5-[2-(cyclopentylamino)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(4-fluorophenyl)methanone is Cc1sc(NC2CCCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccc(F)cc1.
What is the InChIKey of [5-[2-(cyclopentylamino)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is UBNBGISZYXPXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3OS/c1-15-22(27-24(30-15)26-20-4-2-3-5-20)18-8-11-21-17(14-18)12-13-28(21)23(29)16-6-9-19(25)10-7-16/h6-11,14,20H,2-5,12-13H2,1H3,(H,26,27).
What are the key properties of [5-[2-(cyclopentylamino)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(4-fluorophenyl)methanone?
[5-[2-(cyclopentylamino)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 421.54 g/mol, XLogP of 5.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(cyclopentylamino)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 1450246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).