2-[(2,4-dichlorophenyl)methyl]-1,2-thiazol-5-one

C10H7Cl2NOS — CID 67825039

IUPAC2-[(2,4-dichlorophenyl)methyl]-1,2-thiazol-5-one
SMILESO=c1ccn(Cc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C10H7Cl2NOS/c11-8-2-1-7(9(12)5-8)6-13-4-3-10(14)15-13/h1-5H,6H2
InChIKeyAHBHBJMXHPYDCI-UHFFFAOYSA-N
MW260.15 g/mol
LogP3.26
Rot. Bonds2

About 2-[(2,4-dichlorophenyl)methyl]-1,2-thiazol-5-one

2-[(2,4-dichlorophenyl)methyl]-1,2-thiazol-5-one (PubChem CID 67825039) has the molecular formula C10H7Cl2NOS and a molecular weight of 260.15 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methyl]-1,2-thiazol-5-one.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methyl]-1,2-thiazol-5-one
PubChem CID67825039
Molecular FormulaC10H7Cl2NOS
Molecular Weight260.15 g/mol
Exact Mass258.96
IUPAC Name2-[(2,4-dichlorophenyl)methyl]-1,2-thiazol-5-one
SMILESO=c1ccn(Cc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C10H7Cl2NOS/c11-8-2-1-7(9(12)5-8)6-13-4-3-10(14)15-13/h1-5H,6H2
InChIKeyAHBHBJMXHPYDCI-UHFFFAOYSA-N
XLogP3.26
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.15
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methyl]-1,2-thiazol-5-one?
The IUPAC name of 2-[(2,4-dichlorophenyl)methyl]-1,2-thiazol-5-one (CID 67825039) is 2-[(2,4-dichlorophenyl)methyl]-1,2-thiazol-5-one.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methyl]-1,2-thiazol-5-one?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methyl]-1,2-thiazol-5-one is O=c1ccn(Cc2ccc(Cl)cc2Cl)s1.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methyl]-1,2-thiazol-5-one?
The InChIKey is AHBHBJMXHPYDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NOS/c11-8-2-1-7(9(12)5-8)6-13-4-3-10(14)15-13/h1-5H,6H2.
What are the key properties of 2-[(2,4-dichlorophenyl)methyl]-1,2-thiazol-5-one?
2-[(2,4-dichlorophenyl)methyl]-1,2-thiazol-5-one has a molecular weight of 260.15 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methyl]-1,2-thiazol-5-one is sourced from PubChem (CID 67825039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).