4-(1,3-benzothiazol-2-yl)-2-(1,3-thiazol-2-yl)morpholine

C14H13N3OS2 — CID 86774924

IUPAC4-(1,3-benzothiazol-2-yl)-2-(1,3-thiazol-2-yl)morpholine
SMILESc1ccc2sc(N3CCOC(c4nccs4)C3)nc2c1
InChIInChI=1S/C14H13N3OS2/c1-2-4-12-10(3-1)16-14(20-12)17-6-7-18-11(9-17)13-15-5-8-19-13/h1-5,8,11H,6-7,9H2
InChIKeyCWOKPXJAMDPFKJ-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.33
Rot. Bonds2

About 4-(1,3-benzothiazol-2-yl)-2-(1,3-thiazol-2-yl)morpholine

4-(1,3-benzothiazol-2-yl)-2-(1,3-thiazol-2-yl)morpholine (PubChem CID 86774924) has the molecular formula C14H13N3OS2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-2-(1,3-thiazol-2-yl)morpholine.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-2-(1,3-thiazol-2-yl)morpholine
PubChem CID86774924
Molecular FormulaC14H13N3OS2
Molecular Weight303.41 g/mol
Exact Mass303.05
IUPAC Name4-(1,3-benzothiazol-2-yl)-2-(1,3-thiazol-2-yl)morpholine
SMILESc1ccc2sc(N3CCOC(c4nccs4)C3)nc2c1
InChIInChI=1S/C14H13N3OS2/c1-2-4-12-10(3-1)16-14(20-12)17-6-7-18-11(9-17)13-15-5-8-19-13/h1-5,8,11H,6-7,9H2
InChIKeyCWOKPXJAMDPFKJ-UHFFFAOYSA-N
XLogP3.33
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-2-(1,3-thiazol-2-yl)morpholine?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-2-(1,3-thiazol-2-yl)morpholine (CID 86774924) is 4-(1,3-benzothiazol-2-yl)-2-(1,3-thiazol-2-yl)morpholine.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-2-(1,3-thiazol-2-yl)morpholine?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-2-(1,3-thiazol-2-yl)morpholine is c1ccc2sc(N3CCOC(c4nccs4)C3)nc2c1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-2-(1,3-thiazol-2-yl)morpholine?
The InChIKey is CWOKPXJAMDPFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS2/c1-2-4-12-10(3-1)16-14(20-12)17-6-7-18-11(9-17)13-15-5-8-19-13/h1-5,8,11H,6-7,9H2.
What are the key properties of 4-(1,3-benzothiazol-2-yl)-2-(1,3-thiazol-2-yl)morpholine?
4-(1,3-benzothiazol-2-yl)-2-(1,3-thiazol-2-yl)morpholine has a molecular weight of 303.41 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)-2-(1,3-thiazol-2-yl)morpholine is sourced from PubChem (CID 86774924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).