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

C11H17N3OS — CID 15329638

IUPAC4-(4-pyrrolidin-1-yl-1,3-thiazol-2-yl)morpholine
SMILESc1sc(N2CCOCC2)nc1N1CCCC1
InChIInChI=1S/C11H17N3OS/c1-2-4-13(3-1)10-9-16-11(12-10)14-5-7-15-8-6-14/h9H,1-8H2
InChIKeyWZBVOLGTOZSXEW-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.58
Rot. Bonds2

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

4-(4-pyrrolidin-1-yl-1,3-thiazol-2-yl)morpholine (PubChem CID 15329638) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 4-(4-pyrrolidin-1-yl-1,3-thiazol-2-yl)morpholine.

Molecular Properties

Compound Name4-(4-pyrrolidin-1-yl-1,3-thiazol-2-yl)morpholine
PubChem CID15329638
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name4-(4-pyrrolidin-1-yl-1,3-thiazol-2-yl)morpholine
SMILESc1sc(N2CCOCC2)nc1N1CCCC1
InChIInChI=1S/C11H17N3OS/c1-2-4-13(3-1)10-9-16-11(12-10)14-5-7-15-8-6-14/h9H,1-8H2
InChIKeyWZBVOLGTOZSXEW-UHFFFAOYSA-N
XLogP1.58
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-pyrrolidin-1-yl-1,3-thiazol-2-yl)morpholine?
The IUPAC name of 4-(4-pyrrolidin-1-yl-1,3-thiazol-2-yl)morpholine (CID 15329638) is 4-(4-pyrrolidin-1-yl-1,3-thiazol-2-yl)morpholine.
What is the SMILES notation for 4-(4-pyrrolidin-1-yl-1,3-thiazol-2-yl)morpholine?
The canonical SMILES for 4-(4-pyrrolidin-1-yl-1,3-thiazol-2-yl)morpholine is c1sc(N2CCOCC2)nc1N1CCCC1.
What is the InChIKey of 4-(4-pyrrolidin-1-yl-1,3-thiazol-2-yl)morpholine?
The InChIKey is WZBVOLGTOZSXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-2-4-13(3-1)10-9-16-11(12-10)14-5-7-15-8-6-14/h9H,1-8H2.
What are the key properties of 4-(4-pyrrolidin-1-yl-1,3-thiazol-2-yl)morpholine?
4-(4-pyrrolidin-1-yl-1,3-thiazol-2-yl)morpholine has a molecular weight of 239.34 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyrrolidin-1-yl-1,3-thiazol-2-yl)morpholine is sourced from PubChem (CID 15329638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).