2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde

C8H10N2O2S — CID 1479770

IUPAC2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(N2CCOCC2)s1
InChIInChI=1S/C8H10N2O2S/c11-6-7-5-9-8(13-7)10-1-3-12-4-2-10/h5-6H,1-4H2
InChIKeyVDZWHWVAMDQEBT-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.79
Rot. Bonds2

About 2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde

2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde (PubChem CID 1479770) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is 2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde
PubChem CID1479770
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(N2CCOCC2)s1
InChIInChI=1S/C8H10N2O2S/c11-6-7-5-9-8(13-7)10-1-3-12-4-2-10/h5-6H,1-4H2
InChIKeyVDZWHWVAMDQEBT-UHFFFAOYSA-N
XLogP0.79
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde (CID 1479770) is 2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde is O=Cc1cnc(N2CCOCC2)s1.
What is the InChIKey of 2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde?
The InChIKey is VDZWHWVAMDQEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c11-6-7-5-9-8(13-7)10-1-3-12-4-2-10/h5-6H,1-4H2.
What are the key properties of 2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde?
2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde has a molecular weight of 198.25 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 1479770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).