2-(2,4-dichlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide

C12H10Cl2N2O2S — CID 2725626

IUPAC2-(2,4-dichlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1nccs1
InChIInChI=1S/C12H10Cl2N2O2S/c1-7(11(17)16-12-15-4-5-19-12)18-10-3-2-8(13)6-9(10)14/h2-7H,1H3,(H,15,16,17)
InChIKeyRHKFJQSZLZUIMQ-UHFFFAOYSA-N
MW317.20 g/mol
LogP3.86
Rot. Bonds4

About 2-(2,4-dichlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide

2-(2,4-dichlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 2725626) has the molecular formula C12H10Cl2N2O2S and a molecular weight of 317.20 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID2725626
Molecular FormulaC12H10Cl2N2O2S
Molecular Weight317.20 g/mol
Exact Mass315.98
IUPAC Name2-(2,4-dichlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1nccs1
InChIInChI=1S/C12H10Cl2N2O2S/c1-7(11(17)16-12-15-4-5-19-12)18-10-3-2-8(13)6-9(10)14/h2-7H,1H3,(H,15,16,17)
InChIKeyRHKFJQSZLZUIMQ-UHFFFAOYSA-N
XLogP3.86
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide (CID 2725626) is 2-(2,4-dichlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1nccs1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is RHKFJQSZLZUIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2S/c1-7(11(17)16-12-15-4-5-19-12)18-10-3-2-8(13)6-9(10)14/h2-7H,1H3,(H,15,16,17).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide?
2-(2,4-dichlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 317.20 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 2725626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).