6-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol

C22H24N2OS — CID 9362035

IUPAC6-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol
SMILESOc1cc2c(cc1CN1CCC(c3nc4ccccc4s3)CC1)CCC2
InChIInChI=1S/C22H24N2OS/c25-20-13-17-5-3-4-16(17)12-18(20)14-24-10-8-15(9-11-24)22-23-19-6-1-2-7-21(19)26-22/h1-2,6-7,12-13,15,25H,3-5,8-11,14H2
InChIKeyBLBQEGRNTZNFBW-UHFFFAOYSA-N
MW364.51 g/mol
LogP4.87
Rot. Bonds3

About 6-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol

6-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol (PubChem CID 9362035) has the molecular formula C22H24N2OS and a molecular weight of 364.51 g/mol. Its IUPAC name is 6-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name6-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol
PubChem CID9362035
Molecular FormulaC22H24N2OS
Molecular Weight364.51 g/mol
Exact Mass364.16
IUPAC Name6-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol
SMILESOc1cc2c(cc1CN1CCC(c3nc4ccccc4s3)CC1)CCC2
InChIInChI=1S/C22H24N2OS/c25-20-13-17-5-3-4-16(17)12-18(20)14-24-10-8-15(9-11-24)22-23-19-6-1-2-7-21(19)26-22/h1-2,6-7,12-13,15,25H,3-5,8-11,14H2
InChIKeyBLBQEGRNTZNFBW-UHFFFAOYSA-N
XLogP4.87
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 40625039
4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]butan-1-ol
CID 110931478
2-[1-[(4-tert-butylphenyl)methyl]piperidin-4-yl]-1,3-benzothiazole
CID 3223430
6-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 17453612
2-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethyl]benzoic acid
CID 136550077
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 4825491
2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-3-chlorobenzoic acid
CID 136550076
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 1429688
5-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 37266637
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 1429633
6-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-ol
CID 2092624
1-[4-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetyl]phenyl]pyrrolidin-2-one
CID 9318121

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 6-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol (CID 9362035) is 6-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 6-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 6-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol is Oc1cc2c(cc1CN1CCC(c3nc4ccccc4s3)CC1)CCC2.
What is the InChIKey of 6-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol?
The InChIKey is BLBQEGRNTZNFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2OS/c25-20-13-17-5-3-4-16(17)12-18(20)14-24-10-8-15(9-11-24)22-23-19-6-1-2-7-21(19)26-22/h1-2,6-7,12-13,15,25H,3-5,8-11,14H2.
What are the key properties of 6-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol?
6-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol has a molecular weight of 364.51 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 9362035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).