4-[1-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]morpholine

C16H21N3O2S — CID 172900508

IUPAC4-[1-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]morpholine
SMILESCOc1ccc2sc(N3CCC(N4CCOCC4)C3)nc2c1
InChIInChI=1S/C16H21N3O2S/c1-20-13-2-3-15-14(10-13)17-16(22-15)19-5-4-12(11-19)18-6-8-21-9-7-18/h2-3,10,12H,4-9,11H2,1H3
InChIKeyPWIWAWOQTJFYRU-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.22
Rot. Bonds3

About 4-[1-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]morpholine

4-[1-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]morpholine (PubChem CID 172900508) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 4-[1-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]morpholine
PubChem CID172900508
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name4-[1-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]morpholine
SMILESCOc1ccc2sc(N3CCC(N4CCOCC4)C3)nc2c1
InChIInChI=1S/C16H21N3O2S/c1-20-13-2-3-15-14(10-13)17-16(22-15)19-5-4-12(11-19)18-6-8-21-9-7-18/h2-3,10,12H,4-9,11H2,1H3
InChIKeyPWIWAWOQTJFYRU-UHFFFAOYSA-N
XLogP2.22
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-methoxy-1,3-benzothiazole
CID 23728788
N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-N-methylmorpholine-4-carboxamide
CID 172892330
4-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]morpholine
CID 171691387
2-[3-(difluoromethyl)azetidin-1-yl]-5-methoxy-1,3-benzothiazole
CID 171326826
4-(5-methoxy-1,3-benzothiazol-2-yl)-N-methylmorpholine-2-carboxamide
CID 166602705
4-[1-(4-chloro-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]morpholine
CID 172900775
N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide
CID 171328851
N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]cyclopropanecarboxamide
CID 163346079
N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine
CID 171328991
1-[4-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]ethanone
CID 63168028
2-(3,3-difluoropyrrolidin-1-yl)-5-methoxy-1,3-benzothiazole
CID 163349331
2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-5-methoxy-1,3-benzothiazole
CID 16941535

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]morpholine?
The IUPAC name of 4-[1-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]morpholine (CID 172900508) is 4-[1-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]morpholine?
The canonical SMILES for 4-[1-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]morpholine is COc1ccc2sc(N3CCC(N4CCOCC4)C3)nc2c1.
What is the InChIKey of 4-[1-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]morpholine?
The InChIKey is PWIWAWOQTJFYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-20-13-2-3-15-14(10-13)17-16(22-15)19-5-4-12(11-19)18-6-8-21-9-7-18/h2-3,10,12H,4-9,11H2,1H3.
What are the key properties of 4-[1-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]morpholine?
4-[1-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]morpholine has a molecular weight of 319.43 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]morpholine is sourced from PubChem (CID 172900508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).