N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide

C18H25N3O2S — CID 111496521

IUPACN-(1,3-benzothiazol-2-yl)-N-ethyl-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
SMILESCCN(C(=O)CN1CCCC1CCCO)c1nc2ccccc2s1
InChIInChI=1S/C18H25N3O2S/c1-2-21(18-19-15-9-3-4-10-16(15)24-18)17(23)13-20-11-5-7-14(20)8-6-12-22/h3-4,9-10,14,22H,2,5-8,11-13H2,1H3
InChIKeyYMYUUHIKQTVIJN-UHFFFAOYSA-N
MW347.48 g/mol
LogP2.89
Rot. Bonds7

About N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide

N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide (PubChem CID 111496521) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-ethyl-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
PubChem CID111496521
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-ethyl-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
SMILESCCN(C(=O)CN1CCCC1CCCO)c1nc2ccccc2s1
InChIInChI=1S/C18H25N3O2S/c1-2-21(18-19-15-9-3-4-10-16(15)24-18)17(23)13-20-11-5-7-14(20)8-6-12-22/h3-4,9-10,14,22H,2,5-8,11-13H2,1H3
InChIKeyYMYUUHIKQTVIJN-UHFFFAOYSA-N
XLogP2.89
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 78815678
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CID 62467967
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[3-(methanesulfonamido)piperidin-1-yl]acetamide
CID 87016774
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
CID 97321128
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 26551879
N-ethyl-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-phenylacetamide
CID 60690329
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-propanoyl-1,4-diazepan-1-yl)acetamide
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N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 26570197
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
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N-(1,3-benzothiazol-2-yl)-N-ethylspiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carboxamide
CID 16562134
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 46566048
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(9-oxoacridin-10-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide (CID 111496521) is N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide is CCN(C(=O)CN1CCCC1CCCO)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide?
The InChIKey is YMYUUHIKQTVIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-2-21(18-19-15-9-3-4-10-16(15)24-18)17(23)13-20-11-5-7-14(20)8-6-12-22/h3-4,9-10,14,22H,2,5-8,11-13H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide?
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide has a molecular weight of 347.48 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 111496521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).