[2-(1,3-benzothiazol-2-yl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone

C20H26N2OS — CID 24659727

IUPAC[2-(1,3-benzothiazol-2-yl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2CCCCC2c2nc3ccccc3s2)CC1
InChIInChI=1S/C20H26N2OS/c1-14-10-12-22(13-11-14)20(23)16-7-3-2-6-15(16)19-21-17-8-4-5-9-18(17)24-19/h4-5,8-9,14-16H,2-3,6-7,10-13H2,1H3
InChIKeyDMBIMSZDSBHAEJ-UHFFFAOYSA-N
MW342.51 g/mol
LogP4.83
Rot. Bonds2

About [2-(1,3-benzothiazol-2-yl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone

[2-(1,3-benzothiazol-2-yl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 24659727) has the molecular formula C20H26N2OS and a molecular weight of 342.51 g/mol. Its IUPAC name is [2-(1,3-benzothiazol-2-yl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(1,3-benzothiazol-2-yl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID24659727
Molecular FormulaC20H26N2OS
Molecular Weight342.51 g/mol
Exact Mass342.18
IUPAC Name[2-(1,3-benzothiazol-2-yl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2CCCCC2c2nc3ccccc3s2)CC1
InChIInChI=1S/C20H26N2OS/c1-14-10-12-22(13-11-14)20(23)16-7-3-2-6-15(16)19-21-17-8-4-5-9-18(17)24-19/h4-5,8-9,14-16H,2-3,6-7,10-13H2,1H3
InChIKeyDMBIMSZDSBHAEJ-UHFFFAOYSA-N
XLogP4.83
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1,3-benzothiazol-2-yl)cyclohexyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 24672040
[2-(1,3-benzothiazol-2-yl)cyclohexyl]-morpholin-4-ylmethanone
CID 47007759
[(1S,2R)-2-(1,3-benzothiazol-2-yl)cyclohexyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 41183009
[(1S,2R)-2-(1,3-benzothiazol-2-yl)cyclohexyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 30906845
2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 9135310
(2-aminocyclopentyl)-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119830366
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone
CID 51291780
cis-[(1S)-1-cyanoethyl] (1R,2S)-2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate
CID 11925583
[6-(1,3-benzothiazol-2-yl)cyclohex-3-en-1-yl]-(1,4-thiazepan-4-yl)methanone
CID 86839907
[3-(aminomethyl)pyrrolidin-1-yl]-[6-(1,3-benzothiazol-2-yl)cyclohex-3-en-1-yl]methanone
CID 119484424
[3-(aminomethyl)pyrrolidin-1-yl]-[6-(1,3-benzothiazol-2-yl)cyclohex-3-en-1-yl]methanone;dihydrochloride
CID 119484423
1-[[(1R,2R)-2-(1,3-benzothiazol-2-yl)cyclohexanecarbonyl]amino]-3-propan-2-ylthiourea
CID 32836849

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-benzothiazol-2-yl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-(1,3-benzothiazol-2-yl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone (CID 24659727) is [2-(1,3-benzothiazol-2-yl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(1,3-benzothiazol-2-yl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(1,3-benzothiazol-2-yl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)C2CCCCC2c2nc3ccccc3s2)CC1.
What is the InChIKey of [2-(1,3-benzothiazol-2-yl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is DMBIMSZDSBHAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2OS/c1-14-10-12-22(13-11-14)20(23)16-7-3-2-6-15(16)19-21-17-8-4-5-9-18(17)24-19/h4-5,8-9,14-16H,2-3,6-7,10-13H2,1H3.
What are the key properties of [2-(1,3-benzothiazol-2-yl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone?
[2-(1,3-benzothiazol-2-yl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 342.51 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-benzothiazol-2-yl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 24659727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).