4-[2-[2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-2-one

C22H28FN5OS — CID 66974369

IUPAC4-[2-[2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-2-one
SMILESO=C1CN(CCC2CSC(c3cc4cc(F)cc(NC5CCCC5)c4[nH]3)=N2)CCN1
InChIInChI=1S/C22H28FN5OS/c23-15-9-14-10-19(27-21(14)18(11-15)25-16-3-1-2-4-16)22-26-17(13-30-22)5-7-28-8-6-24-20(29)12-28/h9-11,16-17,25,27H,1-8,12-13H2,(H,24,29)
InChIKeyFYFHQRVBGCRNNP-UHFFFAOYSA-N
MW429.57 g/mol
LogP3.35
Rot. Bonds6

About 4-[2-[2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-2-one

4-[2-[2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-2-one (PubChem CID 66974369) has the molecular formula C22H28FN5OS and a molecular weight of 429.57 g/mol. Its IUPAC name is 4-[2-[2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-[2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-2-one
PubChem CID66974369
Molecular FormulaC22H28FN5OS
Molecular Weight429.57 g/mol
Exact Mass429.20
IUPAC Name4-[2-[2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-2-one
SMILESO=C1CN(CCC2CSC(c3cc4cc(F)cc(NC5CCCC5)c4[nH]3)=N2)CCN1
InChIInChI=1S/C22H28FN5OS/c23-15-9-14-10-19(27-21(14)18(11-15)25-16-3-1-2-4-16)22-26-17(13-30-22)5-7-28-8-6-24-20(29)12-28/h9-11,16-17,25,27H,1-8,12-13H2,(H,24,29)
InChIKeyFYFHQRVBGCRNNP-UHFFFAOYSA-N
XLogP3.35
TPSA72.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-2-one?
The IUPAC name of 4-[2-[2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-2-one (CID 66974369) is 4-[2-[2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-2-one.
What is the SMILES notation for 4-[2-[2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-2-one?
The canonical SMILES for 4-[2-[2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-2-one is O=C1CN(CCC2CSC(c3cc4cc(F)cc(NC5CCCC5)c4[nH]3)=N2)CCN1.
What is the InChIKey of 4-[2-[2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-2-one?
The InChIKey is FYFHQRVBGCRNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN5OS/c23-15-9-14-10-19(27-21(14)18(11-15)25-16-3-1-2-4-16)22-26-17(13-30-22)5-7-28-8-6-24-20(29)12-28/h9-11,16-17,25,27H,1-8,12-13H2,(H,24,29).
What are the key properties of 4-[2-[2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-2-one?
4-[2-[2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-2-one has a molecular weight of 429.57 g/mol, XLogP of 3.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-2-one is sourced from PubChem (CID 66974369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).