N-[(2S)-5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-inden-2-yl]propanamide

C25H30N4OS — CID 11270474

IUPACN-[(2S)-5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-inden-2-yl]propanamide
SMILESCCC(=O)N[C@H]1Cc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc2C1
InChIInChI=1S/C25H30N4OS/c1-2-24(30)26-21-16-19-8-7-18(15-20(19)17-21)9-10-28-11-13-29(14-12-28)25-22-5-3-4-6-23(22)31-27-25/h3-8,15,21H,2,9-14,16-17H2,1H3,(H,26,30)/t21-/m0/s1
InChIKeyNAMVXIDCEILDRZ-NRFANRHFSA-N
MW434.61 g/mol
LogP3.65
Rot. Bonds6

About N-[(2S)-5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-inden-2-yl]propanamide

N-[(2S)-5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-inden-2-yl]propanamide (PubChem CID 11270474) has the molecular formula C25H30N4OS and a molecular weight of 434.61 g/mol. Its IUPAC name is N-[(2S)-5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-inden-2-yl]propanamide.

Molecular Properties

Compound NameN-[(2S)-5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-inden-2-yl]propanamide
PubChem CID11270474
Molecular FormulaC25H30N4OS
Molecular Weight434.61 g/mol
Exact Mass434.21
IUPAC NameN-[(2S)-5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-inden-2-yl]propanamide
SMILESCCC(=O)N[C@H]1Cc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc2C1
InChIInChI=1S/C25H30N4OS/c1-2-24(30)26-21-16-19-8-7-18(15-20(19)17-21)9-10-28-11-13-29(14-12-28)25-22-5-3-4-6-23(22)31-27-25/h3-8,15,21H,2,9-14,16-17H2,1H3,(H,26,30)/t21-/m0/s1
InChIKeyNAMVXIDCEILDRZ-NRFANRHFSA-N
XLogP3.65
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.61
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-inden-2-yl]propanamide?
The IUPAC name of N-[(2S)-5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-inden-2-yl]propanamide (CID 11270474) is N-[(2S)-5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-inden-2-yl]propanamide.
What is the SMILES notation for N-[(2S)-5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-inden-2-yl]propanamide?
The canonical SMILES for N-[(2S)-5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-inden-2-yl]propanamide is CCC(=O)N[C@H]1Cc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc2C1.
What is the InChIKey of N-[(2S)-5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-inden-2-yl]propanamide?
The InChIKey is NAMVXIDCEILDRZ-NRFANRHFSA-N. The full InChI is InChI=1S/C25H30N4OS/c1-2-24(30)26-21-16-19-8-7-18(15-20(19)17-21)9-10-28-11-13-29(14-12-28)25-22-5-3-4-6-23(22)31-27-25/h3-8,15,21H,2,9-14,16-17H2,1H3,(H,26,30)/t21-/m0/s1.
What are the key properties of N-[(2S)-5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-inden-2-yl]propanamide?
N-[(2S)-5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-inden-2-yl]propanamide has a molecular weight of 434.61 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-inden-2-yl]propanamide is sourced from PubChem (CID 11270474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).