4-[5-(1,3-benzothiazol-6-yl)-3-pyridinyl]morpholine

C16H15N3OS — CID 91510472

IUPAC4-[5-(1,3-benzothiazol-6-yl)-3-pyridinyl]morpholine
SMILESc1nc2ccc(-c3cncc(N4CCOCC4)c3)cc2s1
InChIInChI=1S/C16H15N3OS/c1-2-15-16(21-11-18-15)8-12(1)13-7-14(10-17-9-13)19-3-5-20-6-4-19/h1-2,7-11H,3-6H2
InChIKeyVOQIRLNYHLENCN-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.19
Rot. Bonds2

About 4-[5-(1,3-benzothiazol-6-yl)-3-pyridinyl]morpholine

4-[5-(1,3-benzothiazol-6-yl)-3-pyridinyl]morpholine (PubChem CID 91510472) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-[5-(1,3-benzothiazol-6-yl)-3-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-(1,3-benzothiazol-6-yl)-3-pyridinyl]morpholine
PubChem CID91510472
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name4-[5-(1,3-benzothiazol-6-yl)-3-pyridinyl]morpholine
SMILESc1nc2ccc(-c3cncc(N4CCOCC4)c3)cc2s1
InChIInChI=1S/C16H15N3OS/c1-2-15-16(21-11-18-15)8-12(1)13-7-14(10-17-9-13)19-3-5-20-6-4-19/h1-2,7-11H,3-6H2
InChIKeyVOQIRLNYHLENCN-UHFFFAOYSA-N
XLogP3.19
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3-benzothiazol-5-yl)-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 54764569
5-methyl-N-[[5-(5-morpholin-4-yl-3-pyridinyl)-2H-indazol-3-yl]methyl]pyridin-3-amine
CID 123451375
4-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine
CID 129315533
4-(5-ethyl-3-pyridinyl)morpholine
CID 130219562
[5-(3-morpholin-4-ylphenyl)-3-pyridinyl]boronic acid
CID 67451819
5-morpholin-4-ylpyridin-3-amine;dihydrochloride
CID 67312945
3,7-bis(1,3-benzothiazol-6-yl)-10-methylphenothiazine
CID 171073738
6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine
CID 88563830
4-[2-[[3-[3-(1,3-benzothiazol-6-yl)imidazolidin-1-yl]-4-pyridinyl]oxy]ethyl]morpholine
CID 142789579
4-[4-(4-bromoquinolin-6-yl)phenyl]morpholine;ethane
CID 142527672
6-(4-methoxyphenyl)-1,3-benzothiazole
CID 91124365
13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102533214

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1,3-benzothiazol-6-yl)-3-pyridinyl]morpholine?
The IUPAC name of 4-[5-(1,3-benzothiazol-6-yl)-3-pyridinyl]morpholine (CID 91510472) is 4-[5-(1,3-benzothiazol-6-yl)-3-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-(1,3-benzothiazol-6-yl)-3-pyridinyl]morpholine?
The canonical SMILES for 4-[5-(1,3-benzothiazol-6-yl)-3-pyridinyl]morpholine is c1nc2ccc(-c3cncc(N4CCOCC4)c3)cc2s1.
What is the InChIKey of 4-[5-(1,3-benzothiazol-6-yl)-3-pyridinyl]morpholine?
The InChIKey is VOQIRLNYHLENCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-2-15-16(21-11-18-15)8-12(1)13-7-14(10-17-9-13)19-3-5-20-6-4-19/h1-2,7-11H,3-6H2.
What are the key properties of 4-[5-(1,3-benzothiazol-6-yl)-3-pyridinyl]morpholine?
4-[5-(1,3-benzothiazol-6-yl)-3-pyridinyl]morpholine has a molecular weight of 297.38 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1,3-benzothiazol-6-yl)-3-pyridinyl]morpholine is sourced from PubChem (CID 91510472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).