4-(2-morpholin-4-yl-1,3-thiazol-4-yl)but-3-en-1-ol

C11H16N2O2S — CID 170477281

IUPAC4-(2-morpholin-4-yl-1,3-thiazol-4-yl)but-3-en-1-ol
SMILESOCCC=Cc1csc(N2CCOCC2)n1
InChIInChI=1S/C11H16N2O2S/c14-6-2-1-3-10-9-16-11(12-10)13-4-7-15-8-5-13/h1,3,9,14H,2,4-8H2
InChIKeySOTQZFMDDZWGTQ-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.38
Rot. Bonds4

About 4-(2-morpholin-4-yl-1,3-thiazol-4-yl)but-3-en-1-ol

4-(2-morpholin-4-yl-1,3-thiazol-4-yl)but-3-en-1-ol (PubChem CID 170477281) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 4-(2-morpholin-4-yl-1,3-thiazol-4-yl)but-3-en-1-ol.

Molecular Properties

Compound Name4-(2-morpholin-4-yl-1,3-thiazol-4-yl)but-3-en-1-ol
PubChem CID170477281
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name4-(2-morpholin-4-yl-1,3-thiazol-4-yl)but-3-en-1-ol
SMILESOCCC=Cc1csc(N2CCOCC2)n1
InChIInChI=1S/C11H16N2O2S/c14-6-2-1-3-10-9-16-11(12-10)13-4-7-15-8-5-13/h1,3,9,14H,2,4-8H2
InChIKeySOTQZFMDDZWGTQ-UHFFFAOYSA-N
XLogP1.38
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-morpholin-4-yl-1,3-thiazol-4-yl)but-3-en-1-ol?
The IUPAC name of 4-(2-morpholin-4-yl-1,3-thiazol-4-yl)but-3-en-1-ol (CID 170477281) is 4-(2-morpholin-4-yl-1,3-thiazol-4-yl)but-3-en-1-ol.
What is the SMILES notation for 4-(2-morpholin-4-yl-1,3-thiazol-4-yl)but-3-en-1-ol?
The canonical SMILES for 4-(2-morpholin-4-yl-1,3-thiazol-4-yl)but-3-en-1-ol is OCCC=Cc1csc(N2CCOCC2)n1.
What is the InChIKey of 4-(2-morpholin-4-yl-1,3-thiazol-4-yl)but-3-en-1-ol?
The InChIKey is SOTQZFMDDZWGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c14-6-2-1-3-10-9-16-11(12-10)13-4-7-15-8-5-13/h1,3,9,14H,2,4-8H2.
What are the key properties of 4-(2-morpholin-4-yl-1,3-thiazol-4-yl)but-3-en-1-ol?
4-(2-morpholin-4-yl-1,3-thiazol-4-yl)but-3-en-1-ol has a molecular weight of 240.33 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-morpholin-4-yl-1,3-thiazol-4-yl)but-3-en-1-ol is sourced from PubChem (CID 170477281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).