2-(2-chloro-5-methylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide

C13H15ClN2O2S — CID 47248031

IUPAC2-(2-chloro-5-methylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide
SMILESCc1ccc(Cl)c(OC(C)C(=O)NC2=NCCS2)c1
InChIInChI=1S/C13H15ClN2O2S/c1-8-3-4-10(14)11(7-8)18-9(2)12(17)16-13-15-5-6-19-13/h3-4,7,9H,5-6H2,1-2H3,(H,15,16,17)
InChIKeyRHXDSYBVQIWVLK-UHFFFAOYSA-N
MW298.80 g/mol
LogP2.63
Rot. Bonds3

About 2-(2-chloro-5-methylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide

2-(2-chloro-5-methylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide (PubChem CID 47248031) has the molecular formula C13H15ClN2O2S and a molecular weight of 298.80 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide
PubChem CID47248031
Molecular FormulaC13H15ClN2O2S
Molecular Weight298.80 g/mol
Exact Mass298.05
IUPAC Name2-(2-chloro-5-methylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide
SMILESCc1ccc(Cl)c(OC(C)C(=O)NC2=NCCS2)c1
InChIInChI=1S/C13H15ClN2O2S/c1-8-3-4-10(14)11(7-8)18-9(2)12(17)16-13-15-5-6-19-13/h3-4,7,9H,5-6H2,1-2H3,(H,15,16,17)
InChIKeyRHXDSYBVQIWVLK-UHFFFAOYSA-N
XLogP2.63
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.80
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2-chloro-5-methylphenoxy)-N-phenylpropanamide
CID 7642896
(2S)-2-(2-chloro-5-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
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2-(2-chloro-5-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 4512597
N-(4-aminophenyl)-2-(2-chloro-5-methylphenoxy)propanamide
CID 43364367
2-(2-chloro-5-methylphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide
CID 78889534
2-(2-chloro-5-methylphenoxy)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide
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(2R)-2-(2,5-dichlorophenoxy)-N-(4-methylphenyl)propanamide
CID 2588733
2-(2-chloro-5-methylphenoxy)-N-(1,1-dioxothian-4-yl)propanamide
CID 146122600
2-[4-butan-2-yl-2-(2-methylbutan-2-yl)phenoxy]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide
CID 143030549
2-(2-chloro-5-methylphenoxy)-N-[2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]propanamide
CID 75400840
2-(2-chloro-5-methylphenoxy)-N-[(2-hydroxycyclopentyl)methyl]propanamide
CID 111470995
N-[3,3-bis(hydroxymethyl)cyclobutyl]-2-(2-chloro-5-methylphenoxy)propanamide
CID 167827659

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide (CID 47248031) is 2-(2-chloro-5-methylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide is Cc1ccc(Cl)c(OC(C)C(=O)NC2=NCCS2)c1.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide?
The InChIKey is RHXDSYBVQIWVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S/c1-8-3-4-10(14)11(7-8)18-9(2)12(17)16-13-15-5-6-19-13/h3-4,7,9H,5-6H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(2-chloro-5-methylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide?
2-(2-chloro-5-methylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide has a molecular weight of 298.80 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 47248031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).