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

C14H15ClN2O2S — CID 2666592

IUPAC4-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)butanamide
SMILESCc1cc(OCCCC(=O)Nc2nccs2)ccc1Cl
InChIInChI=1S/C14H15ClN2O2S/c1-10-9-11(4-5-12(10)15)19-7-2-3-13(18)17-14-16-6-8-20-14/h4-6,8-9H,2-3,7H2,1H3,(H,16,17,18)
InChIKeyYRRXMLUZTHQPTO-UHFFFAOYSA-N
MW310.81 g/mol
LogP3.90
Rot. Bonds6

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

4-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)butanamide (PubChem CID 2666592) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 4-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)butanamide
PubChem CID2666592
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name4-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)butanamide
SMILESCc1cc(OCCCC(=O)Nc2nccs2)ccc1Cl
InChIInChI=1S/C14H15ClN2O2S/c1-10-9-11(4-5-12(10)15)19-7-2-3-13(18)17-14-16-6-8-20-14/h4-6,8-9H,2-3,7H2,1H3,(H,16,17,18)
InChIKeyYRRXMLUZTHQPTO-UHFFFAOYSA-N
XLogP3.90
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-bromophenoxy)-N-(1,3-thiazol-2-yl)butanamide
CID 2679212
4-(4-chloro-3-methylphenoxy)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]butanamide
CID 19191298
2-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 2996131
(2R)-2-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 7380218
4-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 19191215
4-(4-chloro-3-methylphenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 19191212
4-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide
CID 19191267
4-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylpyrazol-3-yl)butanamide
CID 51307640
4-(4-chloro-3-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)butanamide
CID 51552249
4-(4-chloro-3-methylphenoxy)-N-(2-ethylphenyl)butanamide
CID 4797069
N-(3,4-dichlorophenyl)-N'-(1,3-thiazol-2-yl)butanediamide
CID 23822862
N'-[4-(4-chloro-3-methylphenoxy)butanoyl]pyridine-4-carbohydrazide
CID 24819773

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)butanamide (CID 2666592) is 4-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)butanamide is Cc1cc(OCCCC(=O)Nc2nccs2)ccc1Cl.
What is the InChIKey of 4-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)butanamide?
The InChIKey is YRRXMLUZTHQPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-10-9-11(4-5-12(10)15)19-7-2-3-13(18)17-14-16-6-8-20-14/h4-6,8-9H,2-3,7H2,1H3,(H,16,17,18).
What are the key properties of 4-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)butanamide?
4-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)butanamide has a molecular weight of 310.81 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 2666592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).