1-(4-acetylpiperazin-1-yl)-2-[2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone

C24H30FN5O2S — CID 66974258

IUPAC1-(4-acetylpiperazin-1-yl)-2-[2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)CC2CSC(c3cc4cc(F)cc(NC5CCCC5)c4[nH]3)=N2)CC1
InChIInChI=1S/C24H30FN5O2S/c1-15(31)29-6-8-30(9-7-29)22(32)13-19-14-33-24(27-19)21-11-16-10-17(25)12-20(23(16)28-21)26-18-4-2-3-5-18/h10-12,18-19,26,28H,2-9,13-14H2,1H3
InChIKeyNVSFJTBVHCYHKT-UHFFFAOYSA-N
MW471.60 g/mol
LogP3.60
Rot. Bonds5

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

1-(4-acetylpiperazin-1-yl)-2-[2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone (PubChem CID 66974258) has the molecular formula C24H30FN5O2S and a molecular weight of 471.60 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-[2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-[2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone
PubChem CID66974258
Molecular FormulaC24H30FN5O2S
Molecular Weight471.60 g/mol
Exact Mass471.21
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-[2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)CC2CSC(c3cc4cc(F)cc(NC5CCCC5)c4[nH]3)=N2)CC1
InChIInChI=1S/C24H30FN5O2S/c1-15(31)29-6-8-30(9-7-29)22(32)13-19-14-33-24(27-19)21-11-16-10-17(25)12-20(23(16)28-21)26-18-4-2-3-5-18/h10-12,18-19,26,28H,2-9,13-14H2,1H3
InChIKeyNVSFJTBVHCYHKT-UHFFFAOYSA-N
XLogP3.60
TPSA80.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone (CID 66974258) is 1-(4-acetylpiperazin-1-yl)-2-[2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-[2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-[2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone is CC(=O)N1CCN(C(=O)CC2CSC(c3cc4cc(F)cc(NC5CCCC5)c4[nH]3)=N2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-[2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone?
The InChIKey is NVSFJTBVHCYHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O2S/c1-15(31)29-6-8-30(9-7-29)22(32)13-19-14-33-24(27-19)21-11-16-10-17(25)12-20(23(16)28-21)26-18-4-2-3-5-18/h10-12,18-19,26,28H,2-9,13-14H2,1H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-[2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone?
1-(4-acetylpiperazin-1-yl)-2-[2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone has a molecular weight of 471.60 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-[2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 66974258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).