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

C13H13ClN2O2S — CID 2996131

IUPAC2-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1cc(OC(C)C(=O)Nc2nccs2)ccc1Cl
InChIInChI=1S/C13H13ClN2O2S/c1-8-7-10(3-4-11(8)14)18-9(2)12(17)16-13-15-5-6-19-13/h3-7,9H,1-2H3,(H,15,16,17)
InChIKeyXVGBNRNTOJQNTD-UHFFFAOYSA-N
MW296.78 g/mol
LogP3.51
Rot. Bonds4

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

2-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 2996131) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID2996131
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1cc(OC(C)C(=O)Nc2nccs2)ccc1Cl
InChIInChI=1S/C13H13ClN2O2S/c1-8-7-10(3-4-11(8)14)18-9(2)12(17)16-13-15-5-6-19-13/h3-7,9H,1-2H3,(H,15,16,17)
InChIKeyXVGBNRNTOJQNTD-UHFFFAOYSA-N
XLogP3.51
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 7380218
(2R)-2-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 719476
2-phenoxy-N-(1,3-thiazol-2-yl)propanamide
CID 4279674
2-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 2992863
N-(1,3-thiazol-2-yl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 171987768
2-(4-chloro-3-methylphenoxy)-N-(3,4-dichlorophenyl)propanamide
CID 53265973
2-(2,3-dichlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 43077311
(2R)-2-(4-chloro-3-methylphenoxy)-N-(4-methyl-2-pyridinyl)propanamide
CID 7379498
4-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)butanamide
CID 2666592
(2S)-2-(4-chloro-3-methylphenoxy)-N-(2-chloro-3-pyridinyl)propanamide
CID 841539
(2S)-2-(4-bromo-2,6-dimethylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 40771211
(2S)-2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide
CID 95077371

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide (CID 2996131) is 2-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide is Cc1cc(OC(C)C(=O)Nc2nccs2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is XVGBNRNTOJQNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c1-8-7-10(3-4-11(8)14)18-9(2)12(17)16-13-15-5-6-19-13/h3-7,9H,1-2H3,(H,15,16,17).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide?
2-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 296.78 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 2996131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).