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

C24H24FN3OS — CID 1450242

IUPAC[5-[2-(cyclopentylamino)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(2-fluorophenyl)methanone
SMILESCc1sc(NC2CCCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccccc1F
InChIInChI=1S/C24H24FN3OS/c1-15-22(27-24(30-15)26-18-6-2-3-7-18)17-10-11-21-16(14-17)12-13-28(21)23(29)19-8-4-5-9-20(19)25/h4-5,8-11,14,18H,2-3,6-7,12-13H2,1H3,(H,26,27)
InChIKeyJGDWKQLSUAHKPO-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]-(2-fluorophenyl)methanone

[5-[2-(cyclopentylamino)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(2-fluorophenyl)methanone (PubChem CID 1450242) 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]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[5-[2-(cyclopentylamino)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(2-fluorophenyl)methanone
PubChem CID1450242
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]-(2-fluorophenyl)methanone
SMILESCc1sc(NC2CCCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccccc1F
InChIInChI=1S/C24H24FN3OS/c1-15-22(27-24(30-15)26-18-6-2-3-7-18)17-10-11-21-16(14-17)12-13-28(21)23(29)19-8-4-5-9-20(19)25/h4-5,8-11,14,18H,2-3,6-7,12-13H2,1H3,(H,26,27)
InChIKeyJGDWKQLSUAHKPO-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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Frequently Asked Questions

What is the IUPAC name of [5-[2-(cyclopentylamino)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [5-[2-(cyclopentylamino)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(2-fluorophenyl)methanone (CID 1450242) is [5-[2-(cyclopentylamino)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [5-[2-(cyclopentylamino)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [5-[2-(cyclopentylamino)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(2-fluorophenyl)methanone is Cc1sc(NC2CCCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccccc1F.
What is the InChIKey of [5-[2-(cyclopentylamino)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(2-fluorophenyl)methanone?
The InChIKey is JGDWKQLSUAHKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3OS/c1-15-22(27-24(30-15)26-18-6-2-3-7-18)17-10-11-21-16(14-17)12-13-28(21)23(29)19-8-4-5-9-20(19)25/h4-5,8-11,14,18H,2-3,6-7,12-13H2,1H3,(H,26,27).
What are the key properties of [5-[2-(cyclopentylamino)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(2-fluorophenyl)methanone?
[5-[2-(cyclopentylamino)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(2-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]-(2-fluorophenyl)methanone is sourced from PubChem (CID 1450242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).