2-[cyclopropyl(methoxy)methyl]-1,3-thiazole-5-carbaldehyde

C9H11NO2S — CID 116727319

IUPAC2-[cyclopropyl(methoxy)methyl]-1,3-thiazole-5-carbaldehyde
SMILESCOC(c1ncc(C=O)s1)C1CC1
InChIInChI=1S/C9H11NO2S/c1-12-8(6-2-3-6)9-10-4-7(5-11)13-9/h4-6,8H,2-3H2,1H3
InChIKeyMZORGBFNXBRZNG-UHFFFAOYSA-N
MW197.26 g/mol
LogP2.05
Rot. Bonds4

About 2-[cyclopropyl(methoxy)methyl]-1,3-thiazole-5-carbaldehyde

2-[cyclopropyl(methoxy)methyl]-1,3-thiazole-5-carbaldehyde (PubChem CID 116727319) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 2-[cyclopropyl(methoxy)methyl]-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[cyclopropyl(methoxy)methyl]-1,3-thiazole-5-carbaldehyde
PubChem CID116727319
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name2-[cyclopropyl(methoxy)methyl]-1,3-thiazole-5-carbaldehyde
SMILESCOC(c1ncc(C=O)s1)C1CC1
InChIInChI=1S/C9H11NO2S/c1-12-8(6-2-3-6)9-10-4-7(5-11)13-9/h4-6,8H,2-3H2,1H3
InChIKeyMZORGBFNXBRZNG-UHFFFAOYSA-N
XLogP2.05
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[cyclopropyl(methoxy)methyl]-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-[cyclopropyl(methoxy)methyl]-1,3-thiazole-5-carbaldehyde (CID 116727319) is 2-[cyclopropyl(methoxy)methyl]-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-[cyclopropyl(methoxy)methyl]-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-[cyclopropyl(methoxy)methyl]-1,3-thiazole-5-carbaldehyde is COC(c1ncc(C=O)s1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(methoxy)methyl]-1,3-thiazole-5-carbaldehyde?
The InChIKey is MZORGBFNXBRZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-12-8(6-2-3-6)9-10-4-7(5-11)13-9/h4-6,8H,2-3H2,1H3.
What are the key properties of 2-[cyclopropyl(methoxy)methyl]-1,3-thiazole-5-carbaldehyde?
2-[cyclopropyl(methoxy)methyl]-1,3-thiazole-5-carbaldehyde has a molecular weight of 197.26 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methoxy)methyl]-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 116727319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).