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

C14H14N2O2S — CID 2326533

IUPAC2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(N2CCOCC2)nc1-c1ccccc1
InChIInChI=1S/C14H14N2O2S/c17-10-12-13(11-4-2-1-3-5-11)15-14(19-12)16-6-8-18-9-7-16/h1-5,10H,6-9H2
InChIKeyOFUUYKAZFQDERO-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.46
Rot. Bonds3

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

2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carbaldehyde (PubChem CID 2326533) has the molecular formula C14H14N2O2S and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carbaldehyde
PubChem CID2326533
Molecular FormulaC14H14N2O2S
Molecular Weight274.34 g/mol
Exact Mass274.08
IUPAC Name2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(N2CCOCC2)nc1-c1ccccc1
InChIInChI=1S/C14H14N2O2S/c17-10-12-13(11-4-2-1-3-5-11)15-14(19-12)16-6-8-18-9-7-16/h1-5,10H,6-9H2
InChIKeyOFUUYKAZFQDERO-UHFFFAOYSA-N
XLogP2.46
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4,5-Diphenyl-1,3-thiazol-2-yl)morpholine
CID 9509183
5-Lox-IN-1
CID 2354998
[2-(1-Azepanyl)-4-phenyl-1,3-thiazol-5-yl](phenyl)methanone
CID 4437359
(2-Morpholino-4-phenylthiazol-5-yl)(piperidin-1-yl)methanone
CID 1236967
N-cyclohexyl-2-(morpholin-4-yl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 1236968
5-Acetyl-2-morpholin-4-yl-4-phenyl-1,3-thiazole
CID 2377052
1-(5-Benzoyl-4-phenyl-1,3-thiazol-2-yl)piperidine
CID 4968501
[2-(1-Azepanyl)-4-phenyl-1,3-thiazol-5-yl](phenyl)methanone d_5_
CID 11834648
4-(5-Methyl-4-phenyl-1,3-thiazol-2-yl)morpholine
CID 55355450
4-(5-Ethyl-4-phenyl-1,3-thiazol-2-yl)morpholine
CID 71902847
Thiazolyl derivative, 4
CID 10087138
4-(4-Methylphenyl)-2-morpholin-4-yl(1,3-thiazol-5-yl) piperidyl ketone
CID 1236963

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carbaldehyde (CID 2326533) is 2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carbaldehyde is O=Cc1sc(N2CCOCC2)nc1-c1ccccc1.
What is the InChIKey of 2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is OFUUYKAZFQDERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c17-10-12-13(11-4-2-1-3-5-11)15-14(19-12)16-6-8-18-9-7-16/h1-5,10H,6-9H2.
What are the key properties of 2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carbaldehyde?
2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 274.34 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 2326533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).