2,4-dimethyl-1,3-thiazole-5-carbaldehyde;ethane

C10H19NOS — CID 142103323

IUPAC2,4-dimethyl-1,3-thiazole-5-carbaldehyde;ethane
SMILESCC.CC.Cc1nc(C)c(C=O)s1
InChIInChI=1S/C6H7NOS.2C2H6/c1-4-6(3-8)9-5(2)7-4;2*1-2/h3H,1-2H3;2*1-2H3
InChIKeyMCUIEZSBAMLATG-UHFFFAOYSA-N
MW201.33 g/mol
LogP3.62
Rot. Bonds1

About 2,4-dimethyl-1,3-thiazole-5-carbaldehyde;ethane

2,4-dimethyl-1,3-thiazole-5-carbaldehyde;ethane (PubChem CID 142103323) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 2,4-dimethyl-1,3-thiazole-5-carbaldehyde;ethane.

Molecular Properties

Compound Name2,4-dimethyl-1,3-thiazole-5-carbaldehyde;ethane
PubChem CID142103323
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name2,4-dimethyl-1,3-thiazole-5-carbaldehyde;ethane
SMILESCC.CC.Cc1nc(C)c(C=O)s1
InChIInChI=1S/C6H7NOS.2C2H6/c1-4-6(3-8)9-5(2)7-4;2*1-2/h3H,1-2H3;2*1-2H3
InChIKeyMCUIEZSBAMLATG-UHFFFAOYSA-N
XLogP3.62
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(1Z)-buta-1,3-dienyl]-2,4-dimethyl-1,3-thiazole;ethane
CID 143165209
2-methyl-4-propyl-1,3-thiazole-5-carbaldehyde
CID 118654121
2-(diethylamino)-4-methyl-1,3-thiazole-5-carbaldehyde
CID 62764542
2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbaldehyde
CID 131616366
2,4-dimethyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-1,3-thiazole
CID 143115649
4-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-5-carbaldehyde
CID 82128691
2-(2,4-dimethyl-1,3-thiazol-5-yl)acetaldehyde
CID 87669316
4-methyl-2-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carbaldehyde
CID 116885687
4-(5-chlorothiophen-2-yl)-2-methyl-1,3-thiazole-5-carbaldehyde
CID 82130310
2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylidene]-N-ethylbutan-1-amine
CID 79329546
4-methyl-2-(3-methylthiolan-3-yl)-1,3-thiazole-5-carbaldehyde
CID 115036349
2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-1,3-thiazole-5-carbaldehyde
CID 62764717

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1,3-thiazole-5-carbaldehyde;ethane?
The IUPAC name of 2,4-dimethyl-1,3-thiazole-5-carbaldehyde;ethane (CID 142103323) is 2,4-dimethyl-1,3-thiazole-5-carbaldehyde;ethane.
What is the SMILES notation for 2,4-dimethyl-1,3-thiazole-5-carbaldehyde;ethane?
The canonical SMILES for 2,4-dimethyl-1,3-thiazole-5-carbaldehyde;ethane is CC.CC.Cc1nc(C)c(C=O)s1.
What is the InChIKey of 2,4-dimethyl-1,3-thiazole-5-carbaldehyde;ethane?
The InChIKey is MCUIEZSBAMLATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NOS.2C2H6/c1-4-6(3-8)9-5(2)7-4;2*1-2/h3H,1-2H3;2*1-2H3.
What are the key properties of 2,4-dimethyl-1,3-thiazole-5-carbaldehyde;ethane?
2,4-dimethyl-1,3-thiazole-5-carbaldehyde;ethane has a molecular weight of 201.33 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1,3-thiazole-5-carbaldehyde;ethane is sourced from PubChem (CID 142103323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).