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

C14H14Cl2N2O2S — CID 145420185

IUPAC4-(3,4-dichlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cnc(NC(=O)CCCOc2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C14H14Cl2N2O2S/c1-9-8-17-14(21-9)18-13(19)3-2-6-20-10-4-5-11(15)12(16)7-10/h4-5,7-8H,2-3,6H2,1H3,(H,17,18,19)
InChIKeyRZLJHNJFBOTALK-UHFFFAOYSA-N
MW345.25 g/mol
LogP4.56
Rot. Bonds6

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

4-(3,4-dichlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 145420185) has the molecular formula C14H14Cl2N2O2S and a molecular weight of 345.25 g/mol. Its IUPAC name is 4-(3,4-dichlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(3,4-dichlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID145420185
Molecular FormulaC14H14Cl2N2O2S
Molecular Weight345.25 g/mol
Exact Mass344.02
IUPAC Name4-(3,4-dichlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cnc(NC(=O)CCCOc2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C14H14Cl2N2O2S/c1-9-8-17-14(21-9)18-13(19)3-2-6-20-10-4-5-11(15)12(16)7-10/h4-5,7-8H,2-3,6H2,1H3,(H,17,18,19)
InChIKeyRZLJHNJFBOTALK-UHFFFAOYSA-N
XLogP4.56
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.25
LogP ≤ 54.56
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

2-(2-chlorophenoxy)-N-(5-methylthiazol-2-yl)acetamide
CID 2673126
4-(3-chlorophenoxy)-N-(5-cyanothiazol-2-yl)butanamide
CID 155518767
N-(5-methylthiazol-2-yl)-4-phenoxy-butanamide
CID 2673048
4-(4-chloro-3-methyl-phenoxy)-N-(5-methylthiazol-2-yl)butanamide
CID 2673049
N-(5-ethylthiazol-2-yl)-4-phenoxy-butanamide
CID 145420081
N-(5-chlorothiazol-2-yl)-4-phenoxy-butanamide
CID 145420084
N-(5-cyanothiazol-2-yl)-4-phenoxy-butanamide
CID 145420093
4-(2-methoxyphenoxy)-N-(5-methylthiazol-2-yl)butanamide
CID 145420104
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-(3,4-dichlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(3,4-dichlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide (CID 145420185) is 4-(3,4-dichlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(3,4-dichlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(3,4-dichlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide is Cc1cnc(NC(=O)CCCOc2ccc(Cl)c(Cl)c2)s1.
What is the InChIKey of 4-(3,4-dichlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is RZLJHNJFBOTALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2S/c1-9-8-17-14(21-9)18-13(19)3-2-6-20-10-4-5-11(15)12(16)7-10/h4-5,7-8H,2-3,6H2,1H3,(H,17,18,19).
What are the key properties of 4-(3,4-dichlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
4-(3,4-dichlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 345.25 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 145420185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).