4-(5-iodo-1,3-thiazol-2-yl)morpholine

C7H9IN2OS — CID 70824639

IUPAC4-(5-iodo-1,3-thiazol-2-yl)morpholine
SMILESIc1cnc(N2CCOCC2)s1
InChIInChI=1S/C7H9IN2OS/c8-6-5-9-7(12-6)10-1-3-11-4-2-10/h5H,1-4H2
InChIKeyIYCXMRJNBJCYTA-UHFFFAOYSA-N
MW296.13 g/mol
LogP1.58
Rot. Bonds1

About 4-(5-iodo-1,3-thiazol-2-yl)morpholine

4-(5-iodo-1,3-thiazol-2-yl)morpholine (PubChem CID 70824639) has the molecular formula C7H9IN2OS and a molecular weight of 296.13 g/mol. Its IUPAC name is 4-(5-iodo-1,3-thiazol-2-yl)morpholine.

Molecular Properties

Compound Name4-(5-iodo-1,3-thiazol-2-yl)morpholine
PubChem CID70824639
Molecular FormulaC7H9IN2OS
Molecular Weight296.13 g/mol
Exact Mass295.95
IUPAC Name4-(5-iodo-1,3-thiazol-2-yl)morpholine
SMILESIc1cnc(N2CCOCC2)s1
InChIInChI=1S/C7H9IN2OS/c8-6-5-9-7(12-6)10-1-3-11-4-2-10/h5H,1-4H2
InChIKeyIYCXMRJNBJCYTA-UHFFFAOYSA-N
XLogP1.58
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.13
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-iodo-1,3-thiazol-2-yl)morpholine?
The IUPAC name of 4-(5-iodo-1,3-thiazol-2-yl)morpholine (CID 70824639) is 4-(5-iodo-1,3-thiazol-2-yl)morpholine.
What is the SMILES notation for 4-(5-iodo-1,3-thiazol-2-yl)morpholine?
The canonical SMILES for 4-(5-iodo-1,3-thiazol-2-yl)morpholine is Ic1cnc(N2CCOCC2)s1.
What is the InChIKey of 4-(5-iodo-1,3-thiazol-2-yl)morpholine?
The InChIKey is IYCXMRJNBJCYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN2OS/c8-6-5-9-7(12-6)10-1-3-11-4-2-10/h5H,1-4H2.
What are the key properties of 4-(5-iodo-1,3-thiazol-2-yl)morpholine?
4-(5-iodo-1,3-thiazol-2-yl)morpholine has a molecular weight of 296.13 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-iodo-1,3-thiazol-2-yl)morpholine is sourced from PubChem (CID 70824639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).