2-[4-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-N-pentan-3-ylacetamide

C20H30N4OS — CID 30621769

IUPAC2-[4-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CN1CCN([C@H](C)c2nc3ccccc3s2)CC1
InChIInChI=1S/C20H30N4OS/c1-4-16(5-2)21-19(25)14-23-10-12-24(13-11-23)15(3)20-22-17-8-6-7-9-18(17)26-20/h6-9,15-16H,4-5,10-14H2,1-3H3,(H,21,25)/t15-/m1/s1
InChIKeyOIOYUTMHMFPNQM-OAHLLOKOSA-N
MW374.55 g/mol
LogP3.28
Rot. Bonds7

About 2-[4-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-N-pentan-3-ylacetamide

2-[4-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-N-pentan-3-ylacetamide (PubChem CID 30621769) has the molecular formula C20H30N4OS and a molecular weight of 374.55 g/mol. Its IUPAC name is 2-[4-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[4-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-N-pentan-3-ylacetamide
PubChem CID30621769
Molecular FormulaC20H30N4OS
Molecular Weight374.55 g/mol
Exact Mass374.21
IUPAC Name2-[4-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CN1CCN([C@H](C)c2nc3ccccc3s2)CC1
InChIInChI=1S/C20H30N4OS/c1-4-16(5-2)21-19(25)14-23-10-12-24(13-11-23)15(3)20-22-17-8-6-7-9-18(17)26-20/h6-9,15-16H,4-5,10-14H2,1-3H3,(H,21,25)/t15-/m1/s1
InChIKeyOIOYUTMHMFPNQM-OAHLLOKOSA-N
XLogP3.28
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.55
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]ethanone
CID 47110924
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-butan-2-ylacetamide
CID 74652907
2-[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-pentan-3-ylacetamide
CID 9047967
ethyl N-[1-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 46492355
2-(4-benzhydrylpiperazin-1-yl)-N-[(2R)-butan-2-yl]acetamide
CID 8902107
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 9337460
N-[3-[4-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 31424059
benzyl N-[(2R)-1-[4-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-1-oxopropan-2-yl]carbamate
CID 39969779
2-[1-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1,3-benzothiazole
CID 173279216
4-[[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]methyl]-7-hydroxychromen-2-one
CID 167821157
2-[4-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 78797406
(2R)-N-(1-adamantyl)-2-[4-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]propanamide
CID 30735493

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[4-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-N-pentan-3-ylacetamide (CID 30621769) is 2-[4-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[4-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[4-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CN1CCN([C@H](C)c2nc3ccccc3s2)CC1.
What is the InChIKey of 2-[4-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-N-pentan-3-ylacetamide?
The InChIKey is OIOYUTMHMFPNQM-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H30N4OS/c1-4-16(5-2)21-19(25)14-23-10-12-24(13-11-23)15(3)20-22-17-8-6-7-9-18(17)26-20/h6-9,15-16H,4-5,10-14H2,1-3H3,(H,21,25)/t15-/m1/s1.
What are the key properties of 2-[4-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-N-pentan-3-ylacetamide?
2-[4-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-N-pentan-3-ylacetamide has a molecular weight of 374.55 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-N-pentan-3-ylacetamide is sourced from PubChem (CID 30621769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).