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

C14H12Cl2N2O3S — CID 43077951

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-2-(2,3-dichlorophenoxy)propanamide
SMILESCC(=O)c1csc(NC(=O)C(C)Oc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C14H12Cl2N2O3S/c1-7(19)10-6-22-14(17-10)18-13(20)8(2)21-11-5-3-4-9(15)12(11)16/h3-6,8H,1-2H3,(H,17,18,20)
InChIKeyKQOBUHOFRSDAKL-UHFFFAOYSA-N
MW359.23 g/mol
LogP4.06
Rot. Bonds5

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

N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,3-dichlorophenoxy)propanamide (PubChem CID 43077951) has the molecular formula C14H12Cl2N2O3S and a molecular weight of 359.23 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,3-dichlorophenoxy)propanamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-2-(2,3-dichlorophenoxy)propanamide
PubChem CID43077951
Molecular FormulaC14H12Cl2N2O3S
Molecular Weight359.23 g/mol
Exact Mass357.99
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-2-(2,3-dichlorophenoxy)propanamide
SMILESCC(=O)c1csc(NC(=O)C(C)Oc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C14H12Cl2N2O3S/c1-7(19)10-6-22-14(17-10)18-13(20)8(2)21-11-5-3-4-9(15)12(11)16/h3-6,8H,1-2H3,(H,17,18,20)
InChIKeyKQOBUHOFRSDAKL-UHFFFAOYSA-N
XLogP4.06
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-[2-(2,3-dichlorophenoxy)propanoylamino]-1,3-thiazol-4-yl]acetate
CID 55686119
2-(2,3-dichlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 43077311
ethyl 2-[2-(2,3-dichlorophenoxy)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 43077610
[1-(2-chloroanilino)-1-oxopropan-2-yl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46605270
(2R)-2-(2,3-dichlorophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 7787703
2-(2,3-dichlorophenoxy)-N-(4-fluorophenyl)propanamide
CID 42990420
(2S)-2-(2,3-dichlorophenoxy)-N-(2-methoxyphenyl)propanamide
CID 7372354
(2R)-2-(2,4-dichlorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 7939457
2-(2-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 155976896
(2S)-2-(2,3-dichlorophenoxy)-N-(5-methyl-2-pyridinyl)propanamide
CID 27233794
2-(2,3-dichlorophenoxy)-N-quinolin-3-ylpropanamide
CID 46453335
2-(2,4-dichlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 2917163

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,3-dichlorophenoxy)propanamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,3-dichlorophenoxy)propanamide (CID 43077951) is N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,3-dichlorophenoxy)propanamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,3-dichlorophenoxy)propanamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,3-dichlorophenoxy)propanamide is CC(=O)c1csc(NC(=O)C(C)Oc2cccc(Cl)c2Cl)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,3-dichlorophenoxy)propanamide?
The InChIKey is KQOBUHOFRSDAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O3S/c1-7(19)10-6-22-14(17-10)18-13(20)8(2)21-11-5-3-4-9(15)12(11)16/h3-6,8H,1-2H3,(H,17,18,20).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,3-dichlorophenoxy)propanamide?
N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,3-dichlorophenoxy)propanamide has a molecular weight of 359.23 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,3-dichlorophenoxy)propanamide is sourced from PubChem (CID 43077951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).