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

C24H24FN3OS — CID 1450282

IUPAC[5-[2-(cyclohexylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCc2cc(-c3csc(NC4CCCCC4)n3)ccc21
InChIInChI=1S/C24H24FN3OS/c25-19-6-4-5-18(14-19)23(29)28-12-11-17-13-16(9-10-22(17)28)21-15-30-24(27-21)26-20-7-2-1-3-8-20/h4-6,9-10,13-15,20H,1-3,7-8,11-12H2,(H,26,27)
InChIKeyYUJHJWKBCHSSEX-UHFFFAOYSA-N
MW421.54 g/mol
LogP5.90
Rot. Bonds4

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

[5-[2-(cyclohexylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(3-fluorophenyl)methanone (PubChem CID 1450282) has the molecular formula C24H24FN3OS and a molecular weight of 421.54 g/mol. Its IUPAC name is [5-[2-(cyclohexylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[5-[2-(cyclohexylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(3-fluorophenyl)methanone
PubChem CID1450282
Molecular FormulaC24H24FN3OS
Molecular Weight421.54 g/mol
Exact Mass421.16
IUPAC Name[5-[2-(cyclohexylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCc2cc(-c3csc(NC4CCCCC4)n3)ccc21
InChIInChI=1S/C24H24FN3OS/c25-19-6-4-5-18(14-19)23(29)28-12-11-17-13-16(9-10-22(17)28)21-15-30-24(27-21)26-20-7-2-1-3-8-20/h4-6,9-10,13-15,20H,1-3,7-8,11-12H2,(H,26,27)
InChIKeyYUJHJWKBCHSSEX-UHFFFAOYSA-N
XLogP5.90
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 ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[2-(cyclohexylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [5-[2-(cyclohexylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(3-fluorophenyl)methanone (CID 1450282) is [5-[2-(cyclohexylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [5-[2-(cyclohexylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [5-[2-(cyclohexylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(3-fluorophenyl)methanone is O=C(c1cccc(F)c1)N1CCc2cc(-c3csc(NC4CCCCC4)n3)ccc21.
What is the InChIKey of [5-[2-(cyclohexylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(3-fluorophenyl)methanone?
The InChIKey is YUJHJWKBCHSSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3OS/c25-19-6-4-5-18(14-19)23(29)28-12-11-17-13-16(9-10-22(17)28)21-15-30-24(27-21)26-20-7-2-1-3-8-20/h4-6,9-10,13-15,20H,1-3,7-8,11-12H2,(H,26,27).
What are the key properties of [5-[2-(cyclohexylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(3-fluorophenyl)methanone?
[5-[2-(cyclohexylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(3-fluorophenyl)methanone has a molecular weight of 421.54 g/mol, XLogP of 5.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(cyclohexylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 1450282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).