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

C16H20N2O2S — CID 145420181

IUPAC4-(3,4-dimethylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cnc(NC(=O)CCCOc2ccc(C)c(C)c2)s1
InChIInChI=1S/C16H20N2O2S/c1-11-6-7-14(9-12(11)2)20-8-4-5-15(19)18-16-17-10-13(3)21-16/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,18,19)
InChIKeyKXRCITBNEZBCOS-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.87
Rot. Bonds6

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

4-(3,4-dimethylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 145420181) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-(3,4-dimethylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(3,4-dimethylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID145420181
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name4-(3,4-dimethylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cnc(NC(=O)CCCOc2ccc(C)c(C)c2)s1
InChIInChI=1S/C16H20N2O2S/c1-11-6-7-14(9-12(11)2)20-8-4-5-15(19)18-16-17-10-13(3)21-16/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,18,19)
InChIKeyKXRCITBNEZBCOS-UHFFFAOYSA-N
XLogP3.87
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.87
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-ethoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 3343017
4-(3-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 47336960
4-(2-methoxyethoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 60567543
4-amino-N-[5-[3-(3,4-dimethylphenoxy)propyl]-1,3,4-thiadiazol-2-yl]butanamide
CID 39182909
4-[(6-chloro-2-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 155553594
4-(4-chloro-3-methylphenoxy)-2,2-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 155551296
4-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 19191215
3-(4-ethoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 47378490
3-chloro-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 16795655
N-(5-methyl-1,3-thiazol-2-yl)-4-oxopentanamide
CID 65416516
3-(3,4-dimethylphenoxy)-N-(5-methyl-2-pyridinyl)propanamide
CID 47023614
4-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 2092099

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(3,4-dimethylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide (CID 145420181) is 4-(3,4-dimethylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(3,4-dimethylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(3,4-dimethylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide is Cc1cnc(NC(=O)CCCOc2ccc(C)c(C)c2)s1.
What is the InChIKey of 4-(3,4-dimethylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is KXRCITBNEZBCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11-6-7-14(9-12(11)2)20-8-4-5-15(19)18-16-17-10-13(3)21-16/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,18,19).
What are the key properties of 4-(3,4-dimethylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
4-(3,4-dimethylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 304.42 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 145420181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).