4-chloro-2-(2-ethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde

C10H13ClN2O2S — CID 80687694

IUPAC4-chloro-2-(2-ethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde
SMILESCCC1CN(c2nc(Cl)c(C=O)s2)CCO1
InChIInChI=1S/C10H13ClN2O2S/c1-2-7-5-13(3-4-15-7)10-12-9(11)8(6-14)16-10/h6-7H,2-5H2,1H3
InChIKeyZYFHOBJINVLLEY-UHFFFAOYSA-N
MW260.75 g/mol
LogP2.22
Rot. Bonds3

About 4-chloro-2-(2-ethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde

4-chloro-2-(2-ethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde (PubChem CID 80687694) has the molecular formula C10H13ClN2O2S and a molecular weight of 260.75 g/mol. Its IUPAC name is 4-chloro-2-(2-ethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-(2-ethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde
PubChem CID80687694
Molecular FormulaC10H13ClN2O2S
Molecular Weight260.75 g/mol
Exact Mass260.04
IUPAC Name4-chloro-2-(2-ethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde
SMILESCCC1CN(c2nc(Cl)c(C=O)s2)CCO1
InChIInChI=1S/C10H13ClN2O2S/c1-2-7-5-13(3-4-15-7)10-12-9(11)8(6-14)16-10/h6-7H,2-5H2,1H3
InChIKeyZYFHOBJINVLLEY-UHFFFAOYSA-N
XLogP2.22
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 52.22
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 4-chloro-2-(2-ethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-chloro-2-(2-ethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde (CID 80687694) is 4-chloro-2-(2-ethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-(2-ethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-(2-ethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde is CCC1CN(c2nc(Cl)c(C=O)s2)CCO1.
What is the InChIKey of 4-chloro-2-(2-ethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is ZYFHOBJINVLLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2S/c1-2-7-5-13(3-4-15-7)10-12-9(11)8(6-14)16-10/h6-7H,2-5H2,1H3.
What are the key properties of 4-chloro-2-(2-ethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde?
4-chloro-2-(2-ethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 260.75 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-ethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 80687694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).