2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C24H27N3OS — CID 40625039

IUPAC2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESO=C(CN1CCC(c2nc3ccccc3s2)CC1)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C24H27N3OS/c28-23(25-20-10-5-7-17-6-1-2-8-19(17)20)16-27-14-12-18(13-15-27)24-26-21-9-3-4-11-22(21)29-24/h1-4,6,8-9,11,18,20H,5,7,10,12-16H2,(H,25,28)/t20-/m1/s1
InChIKeyLMYFQRRRRFSPOB-HXUWFJFHSA-N
MW405.57 g/mol
LogP4.67
Rot. Bonds4

About 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 40625039) has the molecular formula C24H27N3OS and a molecular weight of 405.57 g/mol. Its IUPAC name is 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID40625039
Molecular FormulaC24H27N3OS
Molecular Weight405.57 g/mol
Exact Mass405.19
IUPAC Name2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESO=C(CN1CCC(c2nc3ccccc3s2)CC1)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C24H27N3OS/c28-23(25-20-10-5-7-17-6-1-2-8-19(17)20)16-27-14-12-18(13-15-27)24-26-21-9-3-4-11-22(21)29-24/h1-4,6,8-9,11,18,20H,5,7,10,12-16H2,(H,25,28)/t20-/m1/s1
InChIKeyLMYFQRRRRFSPOB-HXUWFJFHSA-N
XLogP4.67
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.57
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9391023
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 1429633
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 94025031
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 3670245
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-butylacetamide
CID 31480507
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 9337460
2-(4-benzylpiperazin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2409448
2-[4-(4-amino-1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 167871087
1-(1,3-benzothiazol-2-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 51687317
2-(4-benzyl-1,4-diazepan-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 16618239
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 9336826
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 1429688

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 40625039) is 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is O=C(CN1CCC(c2nc3ccccc3s2)CC1)N[C@@H]1CCCc2ccccc21.
What is the InChIKey of 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is LMYFQRRRRFSPOB-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H27N3OS/c28-23(25-20-10-5-7-17-6-1-2-8-19(17)20)16-27-14-12-18(13-15-27)24-26-21-9-3-4-11-22(21)29-24/h1-4,6,8-9,11,18,20H,5,7,10,12-16H2,(H,25,28)/t20-/m1/s1.
What are the key properties of 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 405.57 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 40625039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).