2-(1-ethylpyrazol-4-yl)-1,3-thiazole-4-carbaldehyde

C9H9N3OS — CID 103570317

IUPAC2-(1-ethylpyrazol-4-yl)-1,3-thiazole-4-carbaldehyde
SMILESCCn1cc(-c2nc(C=O)cs2)cn1
InChIInChI=1S/C9H9N3OS/c1-2-12-4-7(3-10-12)9-11-8(5-13)6-14-9/h3-6H,2H2,1H3
InChIKeyIBODTZKZVWVGDZ-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.84
Rot. Bonds3

About 2-(1-ethylpyrazol-4-yl)-1,3-thiazole-4-carbaldehyde

2-(1-ethylpyrazol-4-yl)-1,3-thiazole-4-carbaldehyde (PubChem CID 103570317) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-1,3-thiazole-4-carbaldehyde
PubChem CID103570317
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name2-(1-ethylpyrazol-4-yl)-1,3-thiazole-4-carbaldehyde
SMILESCCn1cc(-c2nc(C=O)cs2)cn1
InChIInChI=1S/C9H9N3OS/c1-2-12-4-7(3-10-12)9-11-8(5-13)6-14-9/h3-6H,2H2,1H3
InChIKeyIBODTZKZVWVGDZ-UHFFFAOYSA-N
XLogP1.84
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.84
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

2-[1-(methoxymethyl)pyrazol-4-yl]-1,3-thiazole-4-carbaldehyde
CID 155782839
methyl 2-[2-(1-ethylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate
CID 112752355
[4-(4-formyl-1,3-thiazol-2-yl)pyrazol-1-yl]methyl pyrrolidine-2-carboxylate
CID 164917586
ethyl 2-[2-(1-ethylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate
CID 103570052
2-(4-bromophenyl)-4-(1-ethylpyrazol-4-yl)-1,3-thiazole
CID 79832283
2-(2-ethyl-4-pyridinyl)-1,3-thiazole-4-carbaldehyde
CID 91664700
2-(4-tert-butylphenyl)-1,3-thiazole-4-carbaldehyde
CID 60998486
4-ethyl-2-(1-ethylpyrazol-4-yl)-1,3-thiazole-5-carboxylic acid
CID 103570070
2-(1-ethylpyrazol-4-yl)-4,5-difluorobenzaldehyde
CID 172909498
5-(1-ethylpyrazol-4-yl)-1,3,4-thiadiazol-2-amine
CID 64985311
4-(1-ethylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 62944792
1-[2-(1-propylpyrazol-4-yl)-1,3-thiazol-4-yl]ethanamine
CID 103572818

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-1,3-thiazole-4-carbaldehyde (CID 103570317) is 2-(1-ethylpyrazol-4-yl)-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-1,3-thiazole-4-carbaldehyde is CCn1cc(-c2nc(C=O)cs2)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-1,3-thiazole-4-carbaldehyde?
The InChIKey is IBODTZKZVWVGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c1-2-12-4-7(3-10-12)9-11-8(5-13)6-14-9/h3-6H,2H2,1H3.
What are the key properties of 2-(1-ethylpyrazol-4-yl)-1,3-thiazole-4-carbaldehyde?
2-(1-ethylpyrazol-4-yl)-1,3-thiazole-4-carbaldehyde has a molecular weight of 207.26 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 103570317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).