N-(5-chloro-2-hydroxy-3-methylphenyl)-3-(1,3-thiazol-4-yl)propanamide

C13H13ClN2O2S — CID 56791821

IUPACN-(5-chloro-2-hydroxy-3-methylphenyl)-3-(1,3-thiazol-4-yl)propanamide
SMILESCc1cc(Cl)cc(NC(=O)CCc2cscn2)c1O
InChIInChI=1S/C13H13ClN2O2S/c1-8-4-9(14)5-11(13(8)18)16-12(17)3-2-10-6-19-7-15-10/h4-7,18H,2-3H2,1H3,(H,16,17)
InChIKeyZWFIKQCHJPJGFQ-UHFFFAOYSA-N
MW296.78 g/mol
LogP3.38
Rot. Bonds4

About N-(5-chloro-2-hydroxy-3-methylphenyl)-3-(1,3-thiazol-4-yl)propanamide

N-(5-chloro-2-hydroxy-3-methylphenyl)-3-(1,3-thiazol-4-yl)propanamide (PubChem CID 56791821) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxy-3-methylphenyl)-3-(1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxy-3-methylphenyl)-3-(1,3-thiazol-4-yl)propanamide
PubChem CID56791821
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC NameN-(5-chloro-2-hydroxy-3-methylphenyl)-3-(1,3-thiazol-4-yl)propanamide
SMILESCc1cc(Cl)cc(NC(=O)CCc2cscn2)c1O
InChIInChI=1S/C13H13ClN2O2S/c1-8-4-9(14)5-11(13(8)18)16-12(17)3-2-10-6-19-7-15-10/h4-7,18H,2-3H2,1H3,(H,16,17)
InChIKeyZWFIKQCHJPJGFQ-UHFFFAOYSA-N
XLogP3.38
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-3-(1,3-thiazol-4-yl)propanamide
CID 110859463
N-(2,6-dimethylphenyl)-3-(1,3-thiazol-4-yl)propanamide
CID 110679477
N-(4-fluorophenyl)-3-(1,3-thiazol-4-yl)propanamide
CID 110679486
N-[2-(methylamino)ethyl]-3-(1,3-thiazol-4-yl)propanamide
CID 119501389
N-[(2-methylphenyl)methyl]-3-(1,3-thiazol-4-yl)propanamide
CID 110679397
N-(3,5-dichloro-2-hydroxyphenyl)decanamide
CID 107675883
N-(3,5-dichloro-2-hydroxyphenyl)pentanamide
CID 103891119
N-(2,4-dichlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 110332846
N-(5-chloro-2-methylphenyl)-3-(1,3-oxazol-4-yl)propanamide
CID 110679070
N-prop-2-enyl-3-(1,3-thiazol-4-yl)propanamide
CID 110679374
2-methyl-3-[3-(1,3-thiazol-4-yl)propanoylamino]propanoic acid
CID 115731374
2,2-dimethyl-3-[3-(1,3-thiazol-4-yl)propanoylamino]propanoic acid
CID 119249357

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxy-3-methylphenyl)-3-(1,3-thiazol-4-yl)propanamide?
The IUPAC name of N-(5-chloro-2-hydroxy-3-methylphenyl)-3-(1,3-thiazol-4-yl)propanamide (CID 56791821) is N-(5-chloro-2-hydroxy-3-methylphenyl)-3-(1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for N-(5-chloro-2-hydroxy-3-methylphenyl)-3-(1,3-thiazol-4-yl)propanamide?
The canonical SMILES for N-(5-chloro-2-hydroxy-3-methylphenyl)-3-(1,3-thiazol-4-yl)propanamide is Cc1cc(Cl)cc(NC(=O)CCc2cscn2)c1O.
What is the InChIKey of N-(5-chloro-2-hydroxy-3-methylphenyl)-3-(1,3-thiazol-4-yl)propanamide?
The InChIKey is ZWFIKQCHJPJGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c1-8-4-9(14)5-11(13(8)18)16-12(17)3-2-10-6-19-7-15-10/h4-7,18H,2-3H2,1H3,(H,16,17).
What are the key properties of N-(5-chloro-2-hydroxy-3-methylphenyl)-3-(1,3-thiazol-4-yl)propanamide?
N-(5-chloro-2-hydroxy-3-methylphenyl)-3-(1,3-thiazol-4-yl)propanamide has a molecular weight of 296.78 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxy-3-methylphenyl)-3-(1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 56791821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).