N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide

C20H23N3OS2 — CID 11928190

IUPACN-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
SMILESC[C@H](c1nc2ccccc2s1)N(C)C(=O)CN1CCC[C@@H]1c1cccs1
InChIInChI=1S/C20H23N3OS2/c1-14(20-21-15-7-3-4-9-17(15)26-20)22(2)19(24)13-23-11-5-8-16(23)18-10-6-12-25-18/h3-4,6-7,9-10,12,14,16H,5,8,11,13H2,1-2H3/t14-,16-/m1/s1
InChIKeyOJMORDKMELMKPD-GDBMZVCRSA-N
MW385.56 g/mol
LogP4.71
Rot. Bonds5

About N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide

N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide (PubChem CID 11928190) has the molecular formula C20H23N3OS2 and a molecular weight of 385.56 g/mol. Its IUPAC name is N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
PubChem CID11928190
Molecular FormulaC20H23N3OS2
Molecular Weight385.56 g/mol
Exact Mass385.13
IUPAC NameN-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
SMILESC[C@H](c1nc2ccccc2s1)N(C)C(=O)CN1CCC[C@@H]1c1cccs1
InChIInChI=1S/C20H23N3OS2/c1-14(20-21-15-7-3-4-9-17(15)26-20)22(2)19(24)13-23-11-5-8-16(23)18-10-6-12-25-18/h3-4,6-7,9-10,12,14,16H,5,8,11,13H2,1-2H3/t14-,16-/m1/s1
InChIKeyOJMORDKMELMKPD-GDBMZVCRSA-N
XLogP4.71
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.56
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methylacetamide
CID 11931564
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-methylacetamide
CID 11935580
2-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 98772070
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide
CID 8786544
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-naphthalen-1-ylacetamide
CID 9262345
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626897
2-[(4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]-N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methylacetamide
CID 11931563
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(9-oxoacridin-10-yl)acetamide
CID 30135418
4-amino-N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methylpentanamide;dihydrochloride
CID 120564311
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(2-methylphenyl)acetamide
CID 9469055
3-(1,3-benzothiazol-2-yl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one
CID 41144976
2-[[2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 8910317

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide?
The IUPAC name of N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide (CID 11928190) is N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide is C[C@H](c1nc2ccccc2s1)N(C)C(=O)CN1CCC[C@@H]1c1cccs1.
What is the InChIKey of N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide?
The InChIKey is OJMORDKMELMKPD-GDBMZVCRSA-N. The full InChI is InChI=1S/C20H23N3OS2/c1-14(20-21-15-7-3-4-9-17(15)26-20)22(2)19(24)13-23-11-5-8-16(23)18-10-6-12-25-18/h3-4,6-7,9-10,12,14,16H,5,8,11,13H2,1-2H3/t14-,16-/m1/s1.
What are the key properties of N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide?
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide has a molecular weight of 385.56 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide is sourced from PubChem (CID 11928190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).