2,2-dimethyl-1,3-thiazole-3-carbaldehyde

C6H9NOS — CID 175310274

IUPAC2,2-dimethyl-1,3-thiazole-3-carbaldehyde
SMILESCC1(C)SC=CN1C=O
InChIInChI=1S/C6H9NOS/c1-6(2)7(5-8)3-4-9-6/h3-5H,1-2H3
InChIKeyPBKZQQXSLHRHLV-UHFFFAOYSA-N
MW143.21 g/mol
LogP1.40
Rot. Bonds1

About 2,2-dimethyl-1,3-thiazole-3-carbaldehyde

2,2-dimethyl-1,3-thiazole-3-carbaldehyde (PubChem CID 175310274) has the molecular formula C6H9NOS and a molecular weight of 143.21 g/mol. Its IUPAC name is 2,2-dimethyl-1,3-thiazole-3-carbaldehyde.

Molecular Properties

Compound Name2,2-dimethyl-1,3-thiazole-3-carbaldehyde
PubChem CID175310274
Molecular FormulaC6H9NOS
Molecular Weight143.21 g/mol
Exact Mass143.04
IUPAC Name2,2-dimethyl-1,3-thiazole-3-carbaldehyde
SMILESCC1(C)SC=CN1C=O
InChIInChI=1S/C6H9NOS/c1-6(2)7(5-8)3-4-9-6/h3-5H,1-2H3
InChIKeyPBKZQQXSLHRHLV-UHFFFAOYSA-N
XLogP1.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,3-thiazole-3-carbaldehyde?
The IUPAC name of 2,2-dimethyl-1,3-thiazole-3-carbaldehyde (CID 175310274) is 2,2-dimethyl-1,3-thiazole-3-carbaldehyde.
What is the SMILES notation for 2,2-dimethyl-1,3-thiazole-3-carbaldehyde?
The canonical SMILES for 2,2-dimethyl-1,3-thiazole-3-carbaldehyde is CC1(C)SC=CN1C=O.
What is the InChIKey of 2,2-dimethyl-1,3-thiazole-3-carbaldehyde?
The InChIKey is PBKZQQXSLHRHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NOS/c1-6(2)7(5-8)3-4-9-6/h3-5H,1-2H3.
What are the key properties of 2,2-dimethyl-1,3-thiazole-3-carbaldehyde?
2,2-dimethyl-1,3-thiazole-3-carbaldehyde has a molecular weight of 143.21 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,3-thiazole-3-carbaldehyde is sourced from PubChem (CID 175310274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).