N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide

C15H19N3O3S — CID 167869533

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
SMILESCCOc1ccc2nc(NC(=O)CN3CC[C@H](O)C3)sc2c1
InChIInChI=1S/C15H19N3O3S/c1-2-21-11-3-4-12-13(7-11)22-15(16-12)17-14(20)9-18-6-5-10(19)8-18/h3-4,7,10,19H,2,5-6,8-9H2,1H3,(H,16,17,20)/t10-/m0/s1
InChIKeyXDSGFYUTFACMEH-JTQLQIEISA-N
MW321.40 g/mol
LogP1.70
Rot. Bonds5

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide (PubChem CID 167869533) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
PubChem CID167869533
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
SMILESCCOc1ccc2nc(NC(=O)CN3CC[C@H](O)C3)sc2c1
InChIInChI=1S/C15H19N3O3S/c1-2-21-11-3-4-12-13(7-11)22-15(16-12)17-14(20)9-18-6-5-10(19)8-18/h3-4,7,10,19H,2,5-6,8-9H2,1H3,(H,16,17,20)/t10-/m0/s1
InChIKeyXDSGFYUTFACMEH-JTQLQIEISA-N
XLogP1.70
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-1-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]piperidine-4-carboxamide
CID 55916766
2-(4-benzylpiperazin-1-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 17066517
2-(2,2-dimethylmorpholin-4-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 37403117
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
CID 6489368
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(3S,4S)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]acetamide
CID 110162579
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide
CID 6489647
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 24674567
2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 54409195
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]acetamide
CID 155988682
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 110881885
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-hydroxycyclopentane-1-carboxamide
CID 110014465
3-(cyclopropylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 60842453

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide (CID 167869533) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide is CCOc1ccc2nc(NC(=O)CN3CC[C@H](O)C3)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide?
The InChIKey is XDSGFYUTFACMEH-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-2-21-11-3-4-12-13(7-11)22-15(16-12)17-14(20)9-18-6-5-10(19)8-18/h3-4,7,10,19H,2,5-6,8-9H2,1H3,(H,16,17,20)/t10-/m0/s1.
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide has a molecular weight of 321.40 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide is sourced from PubChem (CID 167869533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).