[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone

C24H27N3O2S — CID 7292571

IUPAC[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
SMILESCCOc1ccc2nc(N3CCN(C(=O)c4ccc5c(c4)CCCC5)CC3)sc2c1
InChIInChI=1S/C24H27N3O2S/c1-2-29-20-9-10-21-22(16-20)30-24(25-21)27-13-11-26(12-14-27)23(28)19-8-7-17-5-3-4-6-18(17)15-19/h7-10,15-16H,2-6,11-14H2,1H3
InChIKeyQJUJGAOCHGEAMW-UHFFFAOYSA-N
MW421.57 g/mol
LogP4.54
Rot. Bonds4

About [4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone

[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone (PubChem CID 7292571) has the molecular formula C24H27N3O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is [4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone.

Molecular Properties

Compound Name[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
PubChem CID7292571
Molecular FormulaC24H27N3O2S
Molecular Weight421.57 g/mol
Exact Mass421.18
IUPAC Name[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
SMILESCCOc1ccc2nc(N3CCN(C(=O)c4ccc5c(c4)CCCC5)CC3)sc2c1
InChIInChI=1S/C24H27N3O2S/c1-2-29-20-9-10-21-22(16-20)30-24(25-21)27-13-11-26(12-14-27)23(28)19-8-7-17-5-3-4-6-18(17)15-19/h7-10,15-16H,2-6,11-14H2,1H3
InChIKeyQJUJGAOCHGEAMW-UHFFFAOYSA-N
XLogP4.54
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-nitrophenyl)methanone
CID 7292567
4-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 41115169
N-cyclohexyl-4-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide
CID 43981690
(3,4-dimethoxyphenyl)-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7538977
[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone
CID 41115241
1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 7597374
[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 20883789
1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone
CID 41362779
(3,5-dimethoxyphenyl)-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7538973
[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 6625002
1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-phenylsulfanylethanone
CID 7539057
(4-benzylphenyl)-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 41115145

Frequently Asked Questions

What is the IUPAC name of [4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
The IUPAC name of [4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone (CID 7292571) is [4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone.
What is the SMILES notation for [4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
The canonical SMILES for [4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone is CCOc1ccc2nc(N3CCN(C(=O)c4ccc5c(c4)CCCC5)CC3)sc2c1.
What is the InChIKey of [4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
The InChIKey is QJUJGAOCHGEAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2S/c1-2-29-20-9-10-21-22(16-20)30-24(25-21)27-13-11-26(12-14-27)23(28)19-8-7-17-5-3-4-6-18(17)15-19/h7-10,15-16H,2-6,11-14H2,1H3.
What are the key properties of [4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone has a molecular weight of 421.57 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone is sourced from PubChem (CID 7292571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).