4-[1-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperidin-3-yl]morpholine

C17H23N3OS2 — CID 172901215

IUPAC4-[1-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperidin-3-yl]morpholine
SMILESCSc1cccc2sc(N3CCCC(N4CCOCC4)C3)nc12
InChIInChI=1S/C17H23N3OS2/c1-22-14-5-2-6-15-16(14)18-17(23-15)20-7-3-4-13(12-20)19-8-10-21-11-9-19/h2,5-6,13H,3-4,7-12H2,1H3
InChIKeyIGLMQDNGKZDXFT-UHFFFAOYSA-N
MW349.53 g/mol
LogP3.32
Rot. Bonds3

About 4-[1-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperidin-3-yl]morpholine

4-[1-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperidin-3-yl]morpholine (PubChem CID 172901215) has the molecular formula C17H23N3OS2 and a molecular weight of 349.53 g/mol. Its IUPAC name is 4-[1-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperidin-3-yl]morpholine
PubChem CID172901215
Molecular FormulaC17H23N3OS2
Molecular Weight349.53 g/mol
Exact Mass349.13
IUPAC Name4-[1-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperidin-3-yl]morpholine
SMILESCSc1cccc2sc(N3CCCC(N4CCOCC4)C3)nc12
InChIInChI=1S/C17H23N3OS2/c1-22-14-5-2-6-15-16(14)18-17(23-15)20-7-3-4-13(12-20)19-8-10-21-11-9-19/h2,5-6,13H,3-4,7-12H2,1H3
InChIKeyIGLMQDNGKZDXFT-UHFFFAOYSA-N
XLogP3.32
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.53
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-(4-chloro-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]morpholine
CID 172900775
[1-(4-methylsulfanyl-1,3-benzothiazol-2-yl)pyrrolidin-2-yl]methanol
CID 172905699
2-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylsulfanyl-1,3-benzothiazole
CID 121081796
4-methylsulfanyl-2-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole
CID 16941483
4,7-dimethyl-2-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole
CID 16941501
4-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]morpholine
CID 171691387
4-[1-(5-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]morpholine
CID 172900508
ethane;4-(4-methyl-1,3-benzothiazol-2-yl)morpholine
CID 167513068
2-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 155975498
1-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperidin-3-ol
CID 154883454
2-chloro-4-methylsulfanyl-1,3-benzothiazole
CID 70371093
4-[1-(8-fluoro-7-methoxyquinazolin-4-yl)piperidin-3-yl]morpholine
CID 154763946

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperidin-3-yl]morpholine?
The IUPAC name of 4-[1-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperidin-3-yl]morpholine (CID 172901215) is 4-[1-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperidin-3-yl]morpholine?
The canonical SMILES for 4-[1-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperidin-3-yl]morpholine is CSc1cccc2sc(N3CCCC(N4CCOCC4)C3)nc12.
What is the InChIKey of 4-[1-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperidin-3-yl]morpholine?
The InChIKey is IGLMQDNGKZDXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS2/c1-22-14-5-2-6-15-16(14)18-17(23-15)20-7-3-4-13(12-20)19-8-10-21-11-9-19/h2,5-6,13H,3-4,7-12H2,1H3.
What are the key properties of 4-[1-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperidin-3-yl]morpholine?
4-[1-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperidin-3-yl]morpholine has a molecular weight of 349.53 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperidin-3-yl]morpholine is sourced from PubChem (CID 172901215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).