2-(3-methylmorpholin-4-yl)-4-phenyl-1,3-thiazole-5-carbaldehyde

C15H16N2O2S — CID 62765068

IUPAC2-(3-methylmorpholin-4-yl)-4-phenyl-1,3-thiazole-5-carbaldehyde
SMILESCC1COCCN1c1nc(-c2ccccc2)c(C=O)s1
InChIInChI=1S/C15H16N2O2S/c1-11-10-19-8-7-17(11)15-16-14(13(9-18)20-15)12-5-3-2-4-6-12/h2-6,9,11H,7-8,10H2,1H3
InChIKeyHHLCZRHQYMDONQ-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.85
Rot. Bonds3

About 2-(3-methylmorpholin-4-yl)-4-phenyl-1,3-thiazole-5-carbaldehyde

2-(3-methylmorpholin-4-yl)-4-phenyl-1,3-thiazole-5-carbaldehyde (PubChem CID 62765068) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-(3-methylmorpholin-4-yl)-4-phenyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(3-methylmorpholin-4-yl)-4-phenyl-1,3-thiazole-5-carbaldehyde
PubChem CID62765068
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name2-(3-methylmorpholin-4-yl)-4-phenyl-1,3-thiazole-5-carbaldehyde
SMILESCC1COCCN1c1nc(-c2ccccc2)c(C=O)s1
InChIInChI=1S/C15H16N2O2S/c1-11-10-19-8-7-17(11)15-16-14(13(9-18)20-15)12-5-3-2-4-6-12/h2-6,9,11H,7-8,10H2,1H3
InChIKeyHHLCZRHQYMDONQ-UHFFFAOYSA-N
XLogP2.85
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.85
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-(methoxymethyl)-2-(3-methylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde
CID 107508974
2-(3-methylpyrrolidin-1-yl)-4-phenyl-1,3-thiazole-5-carbaldehyde
CID 62765746
2-(2-ethylpyrrolidin-1-yl)-4-phenyl-1,3-thiazole-5-carbaldehyde
CID 62765917
(Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanimine
CID 9012646
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-phenyl-1,3-thiazole-5-carbaldehyde
CID 115562425
6-[(3R)-3-methylmorpholin-4-yl]pyridine-2-carboxylic acid
CID 94378498
3-(3-methylmorpholin-4-yl)-2-phenylquinoxaline-6-carboxylic acid
CID 50991206
(3S)-4-[6-(ethylsulfonylmethyl)-2-phenylpyrimidin-4-yl]-3-methylmorpholine
CID 141203713
(3Z)-1-methyl-3-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylidene]indol-2-one
CID 2108016
2-(dimethylamino)-4-phenyl-1,3-thiazole-5-carbaldehyde
CID 14570024
3-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
CID 130685662
2-(3-methylmorpholin-4-yl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 55113659

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylmorpholin-4-yl)-4-phenyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(3-methylmorpholin-4-yl)-4-phenyl-1,3-thiazole-5-carbaldehyde (CID 62765068) is 2-(3-methylmorpholin-4-yl)-4-phenyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(3-methylmorpholin-4-yl)-4-phenyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(3-methylmorpholin-4-yl)-4-phenyl-1,3-thiazole-5-carbaldehyde is CC1COCCN1c1nc(-c2ccccc2)c(C=O)s1.
What is the InChIKey of 2-(3-methylmorpholin-4-yl)-4-phenyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is HHLCZRHQYMDONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-11-10-19-8-7-17(11)15-16-14(13(9-18)20-15)12-5-3-2-4-6-12/h2-6,9,11H,7-8,10H2,1H3.
What are the key properties of 2-(3-methylmorpholin-4-yl)-4-phenyl-1,3-thiazole-5-carbaldehyde?
2-(3-methylmorpholin-4-yl)-4-phenyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 288.37 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylmorpholin-4-yl)-4-phenyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 62765068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).