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

C6H8ClN3OS — CID 53273591

IUPAC4-chloro-2-(2,2-dimethylhydrazinyl)-1,3-thiazole-5-carbaldehyde
SMILESCN(C)Nc1nc(Cl)c(C=O)s1
InChIInChI=1S/C6H8ClN3OS/c1-10(2)9-6-8-5(7)4(3-11)12-6/h3H,1-2H3,(H,8,9)
InChIKeyRDHKECSRMDFCDT-UHFFFAOYSA-N
MW205.67 g/mol
LogP1.50
Rot. Bonds3

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

4-chloro-2-(2,2-dimethylhydrazinyl)-1,3-thiazole-5-carbaldehyde (PubChem CID 53273591) has the molecular formula C6H8ClN3OS and a molecular weight of 205.67 g/mol. Its IUPAC name is 4-chloro-2-(2,2-dimethylhydrazinyl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-(2,2-dimethylhydrazinyl)-1,3-thiazole-5-carbaldehyde
PubChem CID53273591
Molecular FormulaC6H8ClN3OS
Molecular Weight205.67 g/mol
Exact Mass205.01
IUPAC Name4-chloro-2-(2,2-dimethylhydrazinyl)-1,3-thiazole-5-carbaldehyde
SMILESCN(C)Nc1nc(Cl)c(C=O)s1
InChIInChI=1S/C6H8ClN3OS/c1-10(2)9-6-8-5(7)4(3-11)12-6/h3H,1-2H3,(H,8,9)
InChIKeyRDHKECSRMDFCDT-UHFFFAOYSA-N
XLogP1.50
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.67
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,2-dimethylhydrazinyl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-chloro-2-(2,2-dimethylhydrazinyl)-1,3-thiazole-5-carbaldehyde (CID 53273591) is 4-chloro-2-(2,2-dimethylhydrazinyl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-(2,2-dimethylhydrazinyl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-(2,2-dimethylhydrazinyl)-1,3-thiazole-5-carbaldehyde is CN(C)Nc1nc(Cl)c(C=O)s1.
What is the InChIKey of 4-chloro-2-(2,2-dimethylhydrazinyl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is RDHKECSRMDFCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3OS/c1-10(2)9-6-8-5(7)4(3-11)12-6/h3H,1-2H3,(H,8,9).
What are the key properties of 4-chloro-2-(2,2-dimethylhydrazinyl)-1,3-thiazole-5-carbaldehyde?
4-chloro-2-(2,2-dimethylhydrazinyl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 205.67 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,2-dimethylhydrazinyl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 53273591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).