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

C24H32FN5O3S — CID 66974200

IUPAC1-[4-[2-[2-[5-fluoro-7-(oxan-4-ylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]-2-hydroxyethanone
SMILESO=C(CO)N1CCN(CCC2CSC(c3cc4cc(F)cc(NC5CCOCC5)c4[nH]3)=N2)CC1
InChIInChI=1S/C24H32FN5O3S/c25-17-11-16-12-21(28-23(16)20(13-17)26-18-2-9-33-10-3-18)24-27-19(15-34-24)1-4-29-5-7-30(8-6-29)22(32)14-31/h11-13,18-19,26,28,31H,1-10,14-15H2
InChIKeyUWAOOAJWHFBZKI-UHFFFAOYSA-N
MW489.62 g/mol
LogP2.29
Rot. Bonds7

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

1-[4-[2-[2-[5-fluoro-7-(oxan-4-ylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]-2-hydroxyethanone (PubChem CID 66974200) has the molecular formula C24H32FN5O3S and a molecular weight of 489.62 g/mol. Its IUPAC name is 1-[4-[2-[2-[5-fluoro-7-(oxan-4-ylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[4-[2-[2-[5-fluoro-7-(oxan-4-ylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]-2-hydroxyethanone
PubChem CID66974200
Molecular FormulaC24H32FN5O3S
Molecular Weight489.62 g/mol
Exact Mass489.22
IUPAC Name1-[4-[2-[2-[5-fluoro-7-(oxan-4-ylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]-2-hydroxyethanone
SMILESO=C(CO)N1CCN(CCC2CSC(c3cc4cc(F)cc(NC5CCOCC5)c4[nH]3)=N2)CC1
InChIInChI=1S/C24H32FN5O3S/c25-17-11-16-12-21(28-23(16)20(13-17)26-18-2-9-33-10-3-18)24-27-19(15-34-24)1-4-29-5-7-30(8-6-29)22(32)14-31/h11-13,18-19,26,28,31H,1-10,14-15H2
InChIKeyUWAOOAJWHFBZKI-UHFFFAOYSA-N
XLogP2.29
TPSA93.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[4-[2-[2-[5-fluoro-7-(oxan-4-ylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]-2-hydroxyethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[2-[5-fluoro-7-(oxan-4-ylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]-2-hydroxyethanone?
The IUPAC name of 1-[4-[2-[2-[5-fluoro-7-(oxan-4-ylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]-2-hydroxyethanone (CID 66974200) is 1-[4-[2-[2-[5-fluoro-7-(oxan-4-ylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[4-[2-[2-[5-fluoro-7-(oxan-4-ylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[4-[2-[2-[5-fluoro-7-(oxan-4-ylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]-2-hydroxyethanone is O=C(CO)N1CCN(CCC2CSC(c3cc4cc(F)cc(NC5CCOCC5)c4[nH]3)=N2)CC1.
What is the InChIKey of 1-[4-[2-[2-[5-fluoro-7-(oxan-4-ylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]-2-hydroxyethanone?
The InChIKey is UWAOOAJWHFBZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN5O3S/c25-17-11-16-12-21(28-23(16)20(13-17)26-18-2-9-33-10-3-18)24-27-19(15-34-24)1-4-29-5-7-30(8-6-29)22(32)14-31/h11-13,18-19,26,28,31H,1-10,14-15H2.
What are the key properties of 1-[4-[2-[2-[5-fluoro-7-(oxan-4-ylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]-2-hydroxyethanone?
1-[4-[2-[2-[5-fluoro-7-(oxan-4-ylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]-2-hydroxyethanone has a molecular weight of 489.62 g/mol, XLogP of 2.29, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[2-[5-fluoro-7-(oxan-4-ylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]-2-hydroxyethanone is sourced from PubChem (CID 66974200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).