2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

C11H9ClN2OS — CID 2781529

IUPAC2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(CCl)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C11H9ClN2OS/c12-6-10(15)14-11-13-9(7-16-11)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,14,15)
InChIKeyFFAWPJLADWBKCB-UHFFFAOYSA-N
MW252.73 g/mol
LogP2.99
Rot. Bonds3

About 2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 2781529) has the molecular formula C11H9ClN2OS and a molecular weight of 252.73 g/mol. Its IUPAC name is 2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID2781529
Molecular FormulaC11H9ClN2OS
Molecular Weight252.73 g/mol
Exact Mass252.01
IUPAC Name2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(CCl)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C11H9ClN2OS/c12-6-10(15)14-11-13-9(7-16-11)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,14,15)
InChIKeyFFAWPJLADWBKCB-UHFFFAOYSA-N
XLogP2.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.73
LogP ≤ 52.99
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-chloro-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 2781529) is 2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is O=C(CCl)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is FFAWPJLADWBKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2OS/c12-6-10(15)14-11-13-9(7-16-11)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,14,15).
What are the key properties of 2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 252.73 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2781529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).