4-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide

C15H17ClN2O2S — CID 2673049

IUPAC4-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cnc(NC(=O)CCCOc2ccc(Cl)c(C)c2)s1
InChIInChI=1S/C15H17ClN2O2S/c1-10-8-12(5-6-13(10)16)20-7-3-4-14(19)18-15-17-9-11(2)21-15/h5-6,8-9H,3-4,7H2,1-2H3,(H,17,18,19)
InChIKeyVOARSNHEKJLYCA-UHFFFAOYSA-N
MW324.83 g/mol
LogP4.21
Rot. Bonds6

About 4-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide

4-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 2673049) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 4-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID2673049
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name4-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cnc(NC(=O)CCCOc2ccc(Cl)c(C)c2)s1
InChIInChI=1S/C15H17ClN2O2S/c1-10-8-12(5-6-13(10)16)20-7-3-4-14(19)18-15-17-9-11(2)21-15/h5-6,8-9H,3-4,7H2,1-2H3,(H,17,18,19)
InChIKeyVOARSNHEKJLYCA-UHFFFAOYSA-N
XLogP4.21
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 54.21
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

N-[5-(2-chlorobenzyl)-1,3-thiazol-2-yl]-3-(5-ethylfuran-2-yl)propanamide
CID 1873833
4-(3-chlorophenoxy)-N-(5-cyanothiazol-2-yl)butanamide
CID 155518767
4-(3-cyanophenoxy)-N-[5-(trifluoromethyl)thiazol-2-yl]butanamide
CID 155543987
3-(3-chloro-4-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-1-carboxamide
CID 162669009
N-(5-methylthiazol-2-yl)-4-phenoxy-butanamide
CID 2673048
4-(3-methylphenoxy)-N-(5-methylthiazol-2-yl)butanamide
CID 8919483
N-(5-ethylthiazol-2-yl)-4-phenoxy-butanamide
CID 145420081
N-(5-chlorothiazol-2-yl)-4-phenoxy-butanamide
CID 145420084
4-(3-chloro-4-methyl-phenoxy)-N-(5-chlorothiazol-2-yl)butanamide
CID 145420105
4-(3-chlorophenoxy)-N-(5-methylthiazol-2-yl)butanamide
CID 145420134
4-(4-chloro-3-methyl-phenoxy)-N-[5-(trifluoromethyl)thiazol-2-yl]butanamide
CID 145420135
4-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 145420136

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide (CID 2673049) is 4-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide is Cc1cnc(NC(=O)CCCOc2ccc(Cl)c(C)c2)s1.
What is the InChIKey of 4-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is VOARSNHEKJLYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-10-8-12(5-6-13(10)16)20-7-3-4-14(19)18-15-17-9-11(2)21-15/h5-6,8-9H,3-4,7H2,1-2H3,(H,17,18,19).
What are the key properties of 4-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
4-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 324.83 g/mol, XLogP of 4.21, 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-(5-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 2673049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).