4-chloro-2-(morpholin-4-ylamino)-1,3-thiazole-5-carbaldehyde

C8H10ClN3O2S — CID 53273580

IUPAC4-chloro-2-(morpholin-4-ylamino)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(NN2CCOCC2)nc1Cl
InChIInChI=1S/C8H10ClN3O2S/c9-7-6(5-13)15-8(10-7)11-12-1-3-14-4-2-12/h5H,1-4H2,(H,10,11)
InChIKeyWAUXCGUIMVMKOC-UHFFFAOYSA-N
MW247.71 g/mol
LogP1.27
Rot. Bonds3

About 4-chloro-2-(morpholin-4-ylamino)-1,3-thiazole-5-carbaldehyde

4-chloro-2-(morpholin-4-ylamino)-1,3-thiazole-5-carbaldehyde (PubChem CID 53273580) has the molecular formula C8H10ClN3O2S and a molecular weight of 247.71 g/mol. Its IUPAC name is 4-chloro-2-(morpholin-4-ylamino)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-(morpholin-4-ylamino)-1,3-thiazole-5-carbaldehyde
PubChem CID53273580
Molecular FormulaC8H10ClN3O2S
Molecular Weight247.71 g/mol
Exact Mass247.02
IUPAC Name4-chloro-2-(morpholin-4-ylamino)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(NN2CCOCC2)nc1Cl
InChIInChI=1S/C8H10ClN3O2S/c9-7-6(5-13)15-8(10-7)11-12-1-3-14-4-2-12/h5H,1-4H2,(H,10,11)
InChIKeyWAUXCGUIMVMKOC-UHFFFAOYSA-N
XLogP1.27
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.71
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(morpholin-4-ylamino)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-chloro-2-(morpholin-4-ylamino)-1,3-thiazole-5-carbaldehyde (CID 53273580) is 4-chloro-2-(morpholin-4-ylamino)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-(morpholin-4-ylamino)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-(morpholin-4-ylamino)-1,3-thiazole-5-carbaldehyde is O=Cc1sc(NN2CCOCC2)nc1Cl.
What is the InChIKey of 4-chloro-2-(morpholin-4-ylamino)-1,3-thiazole-5-carbaldehyde?
The InChIKey is WAUXCGUIMVMKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O2S/c9-7-6(5-13)15-8(10-7)11-12-1-3-14-4-2-12/h5H,1-4H2,(H,10,11).
What are the key properties of 4-chloro-2-(morpholin-4-ylamino)-1,3-thiazole-5-carbaldehyde?
4-chloro-2-(morpholin-4-ylamino)-1,3-thiazole-5-carbaldehyde has a molecular weight of 247.71 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(morpholin-4-ylamino)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 53273580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).