4-chloro-2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde;ethane

C10H15ClN2O2S — CID 144806720

IUPAC4-chloro-2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde;ethane
SMILESCC.O=Cc1sc(N2CCOCC2)nc1Cl
InChIInChI=1S/C8H9ClN2O2S.C2H6/c9-7-6(5-12)14-8(10-7)11-1-3-13-4-2-11;1-2/h5H,1-4H2;1-2H3
InChIKeyZBXUYPCITZEMOQ-UHFFFAOYSA-N
MW262.76 g/mol
LogP2.47
Rot. Bonds2

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

4-chloro-2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde;ethane (PubChem CID 144806720) has the molecular formula C10H15ClN2O2S and a molecular weight of 262.76 g/mol. Its IUPAC name is 4-chloro-2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde;ethane.

Molecular Properties

Compound Name4-chloro-2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde;ethane
PubChem CID144806720
Molecular FormulaC10H15ClN2O2S
Molecular Weight262.76 g/mol
Exact Mass262.05
IUPAC Name4-chloro-2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde;ethane
SMILESCC.O=Cc1sc(N2CCOCC2)nc1Cl
InChIInChI=1S/C8H9ClN2O2S.C2H6/c9-7-6(5-12)14-8(10-7)11-1-3-13-4-2-11;1-2/h5H,1-4H2;1-2H3
InChIKeyZBXUYPCITZEMOQ-UHFFFAOYSA-N
XLogP2.47
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 52.47
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-Chloro-2-(dimethylamino)-1,3-thiazole-5-carbaldehyde
CID 9118376
4-Chloro-2-(morpholin-4-yl)-1,3-thiazole-5-carbaldehyde
CID 2763065
4-Chloro-2-(pyrrolidin-1-yl)thiazole-5-carbaldehyde
CID 2763066
1-(4-Chloro-2-morpholin-4-yl-1,3-thiazol-5-yl)ethanone
CID 72199183
4-Chloro-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 2763067
4-Chloro-2-diethylamino-1,3-thiazole-5-carbaldehyde
CID 33777877
2-[Bis(2-chloroethyl)amino]-4-chloro-1,3-thiazole-5-carbaldehyde
CID 155815840
4-Chloro-2-(1-piperidino)-5-thiazolecarboxaldehyde
CID 3833873
4-Chloro-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 80687152
4-Chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 80688075
4-Chloro-2-[methyl(3,3,3-trifluoropropyl)amino]-1,3-thiazole-5-carbaldehyde
CID 80688180
4-Chloro-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 80688267

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde;ethane?
The IUPAC name of 4-chloro-2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde;ethane (CID 144806720) is 4-chloro-2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde;ethane.
What is the SMILES notation for 4-chloro-2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde;ethane?
The canonical SMILES for 4-chloro-2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde;ethane is CC.O=Cc1sc(N2CCOCC2)nc1Cl.
What is the InChIKey of 4-chloro-2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde;ethane?
The InChIKey is ZBXUYPCITZEMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2S.C2H6/c9-7-6(5-12)14-8(10-7)11-1-3-13-4-2-11;1-2/h5H,1-4H2;1-2H3.
What are the key properties of 4-chloro-2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde;ethane?
4-chloro-2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde;ethane has a molecular weight of 262.76 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde;ethane is sourced from PubChem (CID 144806720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).