4-chloro-2-(2,4-dimethylphenyl)sulfanyl-1,3-thiazole-5-carbaldehyde

C12H10ClNOS2 — CID 80692926

IUPAC4-chloro-2-(2,4-dimethylphenyl)sulfanyl-1,3-thiazole-5-carbaldehyde
SMILESCc1ccc(Sc2nc(Cl)c(C=O)s2)c(C)c1
InChIInChI=1S/C12H10ClNOS2/c1-7-3-4-9(8(2)5-7)16-12-14-11(13)10(6-15)17-12/h3-6H,1-2H3
InChIKeyLHFGQATYKXYTDO-UHFFFAOYSA-N
MW283.81 g/mol
LogP4.38
Rot. Bonds3

About 4-chloro-2-(2,4-dimethylphenyl)sulfanyl-1,3-thiazole-5-carbaldehyde

4-chloro-2-(2,4-dimethylphenyl)sulfanyl-1,3-thiazole-5-carbaldehyde (PubChem CID 80692926) has the molecular formula C12H10ClNOS2 and a molecular weight of 283.81 g/mol. Its IUPAC name is 4-chloro-2-(2,4-dimethylphenyl)sulfanyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-(2,4-dimethylphenyl)sulfanyl-1,3-thiazole-5-carbaldehyde
PubChem CID80692926
Molecular FormulaC12H10ClNOS2
Molecular Weight283.81 g/mol
Exact Mass282.99
IUPAC Name4-chloro-2-(2,4-dimethylphenyl)sulfanyl-1,3-thiazole-5-carbaldehyde
SMILESCc1ccc(Sc2nc(Cl)c(C=O)s2)c(C)c1
InChIInChI=1S/C12H10ClNOS2/c1-7-3-4-9(8(2)5-7)16-12-14-11(13)10(6-15)17-12/h3-6H,1-2H3
InChIKeyLHFGQATYKXYTDO-UHFFFAOYSA-N
XLogP4.38
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.81
LogP ≤ 54.38
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 4-chloro-2-(2,4-dimethylphenyl)sulfanyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-chloro-2-(2,4-dimethylphenyl)sulfanyl-1,3-thiazole-5-carbaldehyde (CID 80692926) is 4-chloro-2-(2,4-dimethylphenyl)sulfanyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-(2,4-dimethylphenyl)sulfanyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-(2,4-dimethylphenyl)sulfanyl-1,3-thiazole-5-carbaldehyde is Cc1ccc(Sc2nc(Cl)c(C=O)s2)c(C)c1.
What is the InChIKey of 4-chloro-2-(2,4-dimethylphenyl)sulfanyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is LHFGQATYKXYTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNOS2/c1-7-3-4-9(8(2)5-7)16-12-14-11(13)10(6-15)17-12/h3-6H,1-2H3.
What are the key properties of 4-chloro-2-(2,4-dimethylphenyl)sulfanyl-1,3-thiazole-5-carbaldehyde?
4-chloro-2-(2,4-dimethylphenyl)sulfanyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 283.81 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,4-dimethylphenyl)sulfanyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 80692926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).