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

C17H21N3O2S2 — CID 97248741

IUPACN-[1-[(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)propanoyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)[C@@H](C)Sc2nc3ccccc3s2)CC1
InChIInChI=1S/C17H21N3O2S2/c1-11(23-17-19-14-5-3-4-6-15(14)24-17)16(22)20-9-7-13(8-10-20)18-12(2)21/h3-6,11,13H,7-10H2,1-2H3,(H,18,21)/t11-/m1/s1
InChIKeyOEZLLZYOJULXJE-LLVKDONJSA-N
MW363.51 g/mol
LogP2.90
Rot. Bonds4

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

N-[1-[(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)propanoyl]piperidin-4-yl]acetamide (PubChem CID 97248741) has the molecular formula C17H21N3O2S2 and a molecular weight of 363.51 g/mol. Its IUPAC name is N-[1-[(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)propanoyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)propanoyl]piperidin-4-yl]acetamide
PubChem CID97248741
Molecular FormulaC17H21N3O2S2
Molecular Weight363.51 g/mol
Exact Mass363.11
IUPAC NameN-[1-[(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)propanoyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)[C@@H](C)Sc2nc3ccccc3s2)CC1
InChIInChI=1S/C17H21N3O2S2/c1-11(23-17-19-14-5-3-4-6-15(14)24-17)16(22)20-9-7-13(8-10-20)18-12(2)21/h3-6,11,13H,7-10H2,1-2H3,(H,18,21)/t11-/m1/s1
InChIKeyOEZLLZYOJULXJE-LLVKDONJSA-N
XLogP2.90
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(1,3-benzothiazol-2-ylsulfanyl)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-1-one
CID 98751980
2-(1,3-benzothiazol-2-ylsulfanyl)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 112781150
(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 30328237
2-(1,3-benzothiazol-2-ylsulfanyl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 4819296
methyl (2S)-2-(1,3-benzothiazol-2-ylsulfanyl)propanoate
CID 7034825
2-(1,3-benzothiazol-2-ylsulfanyl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 42886374
N-[1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide
CID 78775818
N-[1-[(2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoyl]piperidin-4-yl]benzamide
CID 51957012
(2S)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-phenyl-1-pyrrolidin-1-ylethanone
CID 7696703
(2S)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 7795906
2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one
CID 61358066
(2S)-N-(1-adamantyl)-2-(1,3-benzothiazol-2-ylsulfanyl)propanamide
CID 7756895

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)propanoyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)propanoyl]piperidin-4-yl]acetamide (CID 97248741) is N-[1-[(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)propanoyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)propanoyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)propanoyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(C(=O)[C@@H](C)Sc2nc3ccccc3s2)CC1.
What is the InChIKey of N-[1-[(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)propanoyl]piperidin-4-yl]acetamide?
The InChIKey is OEZLLZYOJULXJE-LLVKDONJSA-N. The full InChI is InChI=1S/C17H21N3O2S2/c1-11(23-17-19-14-5-3-4-6-15(14)24-17)16(22)20-9-7-13(8-10-20)18-12(2)21/h3-6,11,13H,7-10H2,1-2H3,(H,18,21)/t11-/m1/s1.
What are the key properties of N-[1-[(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)propanoyl]piperidin-4-yl]acetamide?
N-[1-[(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)propanoyl]piperidin-4-yl]acetamide has a molecular weight of 363.51 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)propanoyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 97248741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).