2-(3-methoxyphenyl)-1,3-thiazole-4-carbaldehyde

C11H9NO2S — CID 2117534

IUPAC2-(3-methoxyphenyl)-1,3-thiazole-4-carbaldehyde
SMILESCOc1cccc(-c2nc(C=O)cs2)c1
InChIInChI=1S/C11H9NO2S/c1-14-10-4-2-3-8(5-10)11-12-9(6-13)7-15-11/h2-7H,1H3
InChIKeyAZBYGUZCRCHMPF-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.63
Rot. Bonds3

About 2-(3-methoxyphenyl)-1,3-thiazole-4-carbaldehyde

2-(3-methoxyphenyl)-1,3-thiazole-4-carbaldehyde (PubChem CID 2117534) has the molecular formula C11H9NO2S and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1,3-thiazole-4-carbaldehyde
PubChem CID2117534
Molecular FormulaC11H9NO2S
Molecular Weight219.26 g/mol
Exact Mass219.04
IUPAC Name2-(3-methoxyphenyl)-1,3-thiazole-4-carbaldehyde
SMILESCOc1cccc(-c2nc(C=O)cs2)c1
InChIInChI=1S/C11H9NO2S/c1-14-10-4-2-3-8(5-10)11-12-9(6-13)7-15-11/h2-7H,1H3
InChIKeyAZBYGUZCRCHMPF-UHFFFAOYSA-N
XLogP2.63
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenyl)-1,3-thiazole-4-carbaldehyde
CID 45480208
2-(3-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole
CID 68669610
4-[3-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]prop-2-enoyl]benzonitrile
CID 78787124
2-(3-methoxyphenyl)-4-(2-methylpropyl)-1,3-thiazole
CID 146521628
4-(2-chloroethyl)-2-(3-methoxyphenyl)-1,3-thiazole
CID 82088342
3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]aniline
CID 7148555
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl] ethanesulfonate
CID 174970309
2-(3-methoxyphenyl)-1,3-oxazole-4-carbaldehyde
CID 53407351
2-(3-methoxyphenyl)-4-(3-nitrophenyl)-1,3-thiazole
CID 8963369
N,N-diethyl-2-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42866037
3,5-dimethoxy-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7693515
2-[(4E)-4-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylidene]-1,3-dioxoisoquinolin-2-yl]acetic acid
CID 39967011

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-(3-methoxyphenyl)-1,3-thiazole-4-carbaldehyde (CID 2117534) is 2-(3-methoxyphenyl)-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-(3-methoxyphenyl)-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-(3-methoxyphenyl)-1,3-thiazole-4-carbaldehyde is COc1cccc(-c2nc(C=O)cs2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1,3-thiazole-4-carbaldehyde?
The InChIKey is AZBYGUZCRCHMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2S/c1-14-10-4-2-3-8(5-10)11-12-9(6-13)7-15-11/h2-7H,1H3.
What are the key properties of 2-(3-methoxyphenyl)-1,3-thiazole-4-carbaldehyde?
2-(3-methoxyphenyl)-1,3-thiazole-4-carbaldehyde has a molecular weight of 219.26 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 2117534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).