2,2-dichloro-N-(3-methyl-1,2-thiazol-5-yl)acetamide

C6H6Cl2N2OS — CID 22398290

IUPAC2,2-dichloro-N-(3-methyl-1,2-thiazol-5-yl)acetamide
SMILESCc1cc(NC(=O)C(Cl)Cl)sn1
InChIInChI=1S/C6H6Cl2N2OS/c1-3-2-4(12-10-3)9-6(11)5(7)8/h2,5H,1H3,(H,9,11)
InChIKeyJNNJWFWVVYUKDP-UHFFFAOYSA-N
MW225.10 g/mol
LogP2.19
Rot. Bonds2

About 2,2-dichloro-N-(3-methyl-1,2-thiazol-5-yl)acetamide

2,2-dichloro-N-(3-methyl-1,2-thiazol-5-yl)acetamide (PubChem CID 22398290) has the molecular formula C6H6Cl2N2OS and a molecular weight of 225.10 g/mol. Its IUPAC name is 2,2-dichloro-N-(3-methyl-1,2-thiazol-5-yl)acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-(3-methyl-1,2-thiazol-5-yl)acetamide
PubChem CID22398290
Molecular FormulaC6H6Cl2N2OS
Molecular Weight225.10 g/mol
Exact Mass223.96
IUPAC Name2,2-dichloro-N-(3-methyl-1,2-thiazol-5-yl)acetamide
SMILESCc1cc(NC(=O)C(Cl)Cl)sn1
InChIInChI=1S/C6H6Cl2N2OS/c1-3-2-4(12-10-3)9-6(11)5(7)8/h2,5H,1H3,(H,9,11)
InChIKeyJNNJWFWVVYUKDP-UHFFFAOYSA-N
XLogP2.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.10
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(3-methyl-1,2-thiazol-5-yl)acetamide?
The IUPAC name of 2,2-dichloro-N-(3-methyl-1,2-thiazol-5-yl)acetamide (CID 22398290) is 2,2-dichloro-N-(3-methyl-1,2-thiazol-5-yl)acetamide.
What is the SMILES notation for 2,2-dichloro-N-(3-methyl-1,2-thiazol-5-yl)acetamide?
The canonical SMILES for 2,2-dichloro-N-(3-methyl-1,2-thiazol-5-yl)acetamide is Cc1cc(NC(=O)C(Cl)Cl)sn1.
What is the InChIKey of 2,2-dichloro-N-(3-methyl-1,2-thiazol-5-yl)acetamide?
The InChIKey is JNNJWFWVVYUKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2OS/c1-3-2-4(12-10-3)9-6(11)5(7)8/h2,5H,1H3,(H,9,11).
What are the key properties of 2,2-dichloro-N-(3-methyl-1,2-thiazol-5-yl)acetamide?
2,2-dichloro-N-(3-methyl-1,2-thiazol-5-yl)acetamide has a molecular weight of 225.10 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(3-methyl-1,2-thiazol-5-yl)acetamide is sourced from PubChem (CID 22398290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).