5-ethyl-4-(3-methylphenyl)-1,3-thiazole-2-carbaldehyde

C13H13NOS — CID 105489991

IUPAC5-ethyl-4-(3-methylphenyl)-1,3-thiazole-2-carbaldehyde
SMILESCCc1sc(C=O)nc1-c1cccc(C)c1
InChIInChI=1S/C13H13NOS/c1-3-11-13(14-12(8-15)16-11)10-6-4-5-9(2)7-10/h4-8H,3H2,1-2H3
InChIKeyVGISTMGIWBNIEB-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.49
Rot. Bonds3

About 5-ethyl-4-(3-methylphenyl)-1,3-thiazole-2-carbaldehyde

5-ethyl-4-(3-methylphenyl)-1,3-thiazole-2-carbaldehyde (PubChem CID 105489991) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is 5-ethyl-4-(3-methylphenyl)-1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Name5-ethyl-4-(3-methylphenyl)-1,3-thiazole-2-carbaldehyde
PubChem CID105489991
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name5-ethyl-4-(3-methylphenyl)-1,3-thiazole-2-carbaldehyde
SMILESCCc1sc(C=O)nc1-c1cccc(C)c1
InChIInChI=1S/C13H13NOS/c1-3-11-13(14-12(8-15)16-11)10-6-4-5-9(2)7-10/h4-8H,3H2,1-2H3
InChIKeyVGISTMGIWBNIEB-UHFFFAOYSA-N
XLogP3.49
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.49
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-ethyl-4-(3-methylphenyl)-1H-imidazole-2-carbaldehyde
CID 105467718
5-benzyl-4-(3-methylphenyl)-1,3-thiazol-2-amine
CID 82106454
5-methyl-4-(3-methylphenyl)-1H-imidazole-2-carbaldehyde
CID 105452812
[5-benzyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]methanamine
CID 82106460
1-methyl-2-(3-methylphenyl)imidazole-4-carbaldehyde
CID 84669489
ethyl 2-bromo-4-(3-methylphenyl)-1,3-thiazole-5-carboxylate
CID 131867355
2-bromo-5-ethyl-4-phenyl-1,3-thiazole
CID 68778379
4-chloro-2-methyl-5-(3-methylphenyl)pyrazole-3-carbaldehyde
CID 83911945
[4-ethyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]methanol
CID 82428598
4-(3-methylphenyl)-2-propyl-1,3-thiazole-5-carboxylic acid
CID 82226923
4-(3-methylphenyl)-5-[3-[5-(3-methylphenyl)-2H-triazol-4-yl]phenyl]-2H-triazole
CID 118532825
5-ethyl-4-propan-2-yl-1,3-thiazole-2-carbaldehyde
CID 105440776

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(3-methylphenyl)-1,3-thiazole-2-carbaldehyde?
The IUPAC name of 5-ethyl-4-(3-methylphenyl)-1,3-thiazole-2-carbaldehyde (CID 105489991) is 5-ethyl-4-(3-methylphenyl)-1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for 5-ethyl-4-(3-methylphenyl)-1,3-thiazole-2-carbaldehyde?
The canonical SMILES for 5-ethyl-4-(3-methylphenyl)-1,3-thiazole-2-carbaldehyde is CCc1sc(C=O)nc1-c1cccc(C)c1.
What is the InChIKey of 5-ethyl-4-(3-methylphenyl)-1,3-thiazole-2-carbaldehyde?
The InChIKey is VGISTMGIWBNIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c1-3-11-13(14-12(8-15)16-11)10-6-4-5-9(2)7-10/h4-8H,3H2,1-2H3.
What are the key properties of 5-ethyl-4-(3-methylphenyl)-1,3-thiazole-2-carbaldehyde?
5-ethyl-4-(3-methylphenyl)-1,3-thiazole-2-carbaldehyde has a molecular weight of 231.32 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(3-methylphenyl)-1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 105489991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).