2-[4-[(2-amino-1,3-thiazol-5-yl)oxy]phenyl]acetaldehyde

C11H10N2O2S — CID 88921262

IUPAC2-[4-[(2-amino-1,3-thiazol-5-yl)oxy]phenyl]acetaldehyde
SMILESNc1ncc(Oc2ccc(CC=O)cc2)s1
InChIInChI=1S/C11H10N2O2S/c12-11-13-7-10(16-11)15-9-3-1-8(2-4-9)5-6-14/h1-4,6-7H,5H2,(H2,12,13)
InChIKeyGSDIDFSEVWGODV-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.26
Rot. Bonds4

About 2-[4-[(2-amino-1,3-thiazol-5-yl)oxy]phenyl]acetaldehyde

2-[4-[(2-amino-1,3-thiazol-5-yl)oxy]phenyl]acetaldehyde (PubChem CID 88921262) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 2-[4-[(2-amino-1,3-thiazol-5-yl)oxy]phenyl]acetaldehyde.

Molecular Properties

Compound Name2-[4-[(2-amino-1,3-thiazol-5-yl)oxy]phenyl]acetaldehyde
PubChem CID88921262
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name2-[4-[(2-amino-1,3-thiazol-5-yl)oxy]phenyl]acetaldehyde
SMILESNc1ncc(Oc2ccc(CC=O)cc2)s1
InChIInChI=1S/C11H10N2O2S/c12-11-13-7-10(16-11)15-9-3-1-8(2-4-9)5-6-14/h1-4,6-7H,5H2,(H2,12,13)
InChIKeyGSDIDFSEVWGODV-UHFFFAOYSA-N
XLogP2.26
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
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 2-[4-[(2-amino-1,3-thiazol-5-yl)oxy]phenyl]acetaldehyde?
The IUPAC name of 2-[4-[(2-amino-1,3-thiazol-5-yl)oxy]phenyl]acetaldehyde (CID 88921262) is 2-[4-[(2-amino-1,3-thiazol-5-yl)oxy]phenyl]acetaldehyde.
What is the SMILES notation for 2-[4-[(2-amino-1,3-thiazol-5-yl)oxy]phenyl]acetaldehyde?
The canonical SMILES for 2-[4-[(2-amino-1,3-thiazol-5-yl)oxy]phenyl]acetaldehyde is Nc1ncc(Oc2ccc(CC=O)cc2)s1.
What is the InChIKey of 2-[4-[(2-amino-1,3-thiazol-5-yl)oxy]phenyl]acetaldehyde?
The InChIKey is GSDIDFSEVWGODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c12-11-13-7-10(16-11)15-9-3-1-8(2-4-9)5-6-14/h1-4,6-7H,5H2,(H2,12,13).
What are the key properties of 2-[4-[(2-amino-1,3-thiazol-5-yl)oxy]phenyl]acetaldehyde?
2-[4-[(2-amino-1,3-thiazol-5-yl)oxy]phenyl]acetaldehyde has a molecular weight of 234.28 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-amino-1,3-thiazol-5-yl)oxy]phenyl]acetaldehyde is sourced from PubChem (CID 88921262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).