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

C24H32FN5OS — CID 59543114

IUPAC1-[4-[2-[(4R)-2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CC[C@@H]2CSC(c3cc4cc(F)cc(NC5CCCC5)c4[nH]3)=N2)CC1
InChIInChI=1S/C24H32FN5OS/c1-16(31)30-10-8-29(9-11-30)7-6-20-15-32-24(27-20)22-13-17-12-18(25)14-21(23(17)28-22)26-19-4-2-3-5-19/h12-14,19-20,26,28H,2-11,15H2,1H3/t20-/m1/s1
InChIKeyRBHIYEZXBCEOJZ-HXUWFJFHSA-N
MW457.62 g/mol
LogP4.08
Rot. Bonds6

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

1-[4-[2-[(4R)-2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]ethanone (PubChem CID 59543114) has the molecular formula C24H32FN5OS and a molecular weight of 457.62 g/mol. Its IUPAC name is 1-[4-[2-[(4R)-2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[(4R)-2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]ethanone
PubChem CID59543114
Molecular FormulaC24H32FN5OS
Molecular Weight457.62 g/mol
Exact Mass457.23
IUPAC Name1-[4-[2-[(4R)-2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CC[C@@H]2CSC(c3cc4cc(F)cc(NC5CCCC5)c4[nH]3)=N2)CC1
InChIInChI=1S/C24H32FN5OS/c1-16(31)30-10-8-29(9-11-30)7-6-20-15-32-24(27-20)22-13-17-12-18(25)14-21(23(17)28-22)26-19-4-2-3-5-19/h12-14,19-20,26,28H,2-11,15H2,1H3/t20-/m1/s1
InChIKeyRBHIYEZXBCEOJZ-HXUWFJFHSA-N
XLogP4.08
TPSA63.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.62
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-[2-[(4R)-2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(4R)-2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[(4R)-2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]ethanone (CID 59543114) is 1-[4-[2-[(4R)-2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[(4R)-2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[(4R)-2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(CC[C@@H]2CSC(c3cc4cc(F)cc(NC5CCCC5)c4[nH]3)=N2)CC1.
What is the InChIKey of 1-[4-[2-[(4R)-2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]ethanone?
The InChIKey is RBHIYEZXBCEOJZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H32FN5OS/c1-16(31)30-10-8-29(9-11-30)7-6-20-15-32-24(27-20)22-13-17-12-18(25)14-21(23(17)28-22)26-19-4-2-3-5-19/h12-14,19-20,26,28H,2-11,15H2,1H3/t20-/m1/s1.
What are the key properties of 1-[4-[2-[(4R)-2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]ethanone?
1-[4-[2-[(4R)-2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]ethanone has a molecular weight of 457.62 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(4R)-2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 59543114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).