2-methyl-5-phenyl-1,3-thiazole-4-carbaldehyde

C11H9NOS — CID 15359783

IUPAC2-methyl-5-phenyl-1,3-thiazole-4-carbaldehyde
SMILESCc1nc(C=O)c(-c2ccccc2)s1
InChIInChI=1S/C11H9NOS/c1-8-12-10(7-13)11(14-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyYVGDGIZFXOCYCI-UHFFFAOYSA-N
MW203.27 g/mol
LogP2.93
Rot. Bonds2

About 2-methyl-5-phenyl-1,3-thiazole-4-carbaldehyde

2-methyl-5-phenyl-1,3-thiazole-4-carbaldehyde (PubChem CID 15359783) has the molecular formula C11H9NOS and a molecular weight of 203.27 g/mol. Its IUPAC name is 2-methyl-5-phenyl-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-methyl-5-phenyl-1,3-thiazole-4-carbaldehyde
PubChem CID15359783
Molecular FormulaC11H9NOS
Molecular Weight203.27 g/mol
Exact Mass203.04
IUPAC Name2-methyl-5-phenyl-1,3-thiazole-4-carbaldehyde
SMILESCc1nc(C=O)c(-c2ccccc2)s1
InChIInChI=1S/C11H9NOS/c1-8-12-10(7-13)11(14-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyYVGDGIZFXOCYCI-UHFFFAOYSA-N
XLogP2.93
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 52.93
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

4-bromo-2-methyl-5-phenyl-1,3-thiazole
CID 86189921
2,4-dimethyl-5-phenyl-1,3-thiazole;fluoroform
CID 159404933
2-methyl-4-(4-methylphenyl)-5-phenyl-1,3-thiazole
CID 4654127
2-methyl-5-(4-methylphenyl)-4-phenyl-1,3-thiazole
CID 139241050
2-methyl-5-phenyl-4-propyl-1,3-thiazole
CID 90764041
4-(bromomethyl)-2-methyl-5-phenyl-1,3-thiazole
CID 130090867
ethyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate;hydrochloride
CID 112758002
2-bromo-5-(3-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde
CID 84715258
2-amino-5-(2-methylphenyl)-1,3-thiazole-4-carbaldehyde
CID 84683840
1-methyl-2,5-diphenylimidazole-4-carbaldehyde
CID 14924912
2-oxo-5-phenyl-3H-1,3-thiazole-4-carbaldehyde
CID 133058764
2-methyl-4-[(4-methylphenyl)-phenylmethyl]-5-phenyl-1,3-thiazole
CID 46947499

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenyl-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-methyl-5-phenyl-1,3-thiazole-4-carbaldehyde (CID 15359783) is 2-methyl-5-phenyl-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-methyl-5-phenyl-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-methyl-5-phenyl-1,3-thiazole-4-carbaldehyde is Cc1nc(C=O)c(-c2ccccc2)s1.
What is the InChIKey of 2-methyl-5-phenyl-1,3-thiazole-4-carbaldehyde?
The InChIKey is YVGDGIZFXOCYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NOS/c1-8-12-10(7-13)11(14-8)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 2-methyl-5-phenyl-1,3-thiazole-4-carbaldehyde?
2-methyl-5-phenyl-1,3-thiazole-4-carbaldehyde has a molecular weight of 203.27 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenyl-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 15359783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).