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

C14H16N2O2S — CID 2673048

IUPACN-(5-methyl-1,3-thiazol-2-yl)-4-phenoxybutanamide
SMILESCc1cnc(NC(=O)CCCOc2ccccc2)s1
InChIInChI=1S/C14H16N2O2S/c1-11-10-15-14(19-11)16-13(17)8-5-9-18-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3,(H,15,16,17)
InChIKeyMWHQQWNHUURCGY-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.25
Rot. Bonds6

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

N-(5-methyl-1,3-thiazol-2-yl)-4-phenoxybutanamide (PubChem CID 2673048) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-4-phenoxybutanamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-4-phenoxybutanamide
PubChem CID2673048
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-4-phenoxybutanamide
SMILESCc1cnc(NC(=O)CCCOc2ccccc2)s1
InChIInChI=1S/C14H16N2O2S/c1-11-10-15-14(19-11)16-13(17)8-5-9-18-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3,(H,15,16,17)
InChIKeyMWHQQWNHUURCGY-UHFFFAOYSA-N
XLogP3.25
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.25
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-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 721272
2-phenoxy-N-(1,3-thiazol-2-yl)acetamide
CID 2787061
2-Amino-5-thio-substituted thiazole 69
CID 5329705
4-(2,3-dimethylphenoxy)-N-1,3-thiazol-2-ylbutanamide
CID 1575135
4-(2-methoxyphenoxy)-N-1,3-thiazol-2-ylbutanamide
CID 1631626
2-(2-methoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2678077
4-phenoxy-N-(1,3-thiazol-2-yl)butanamide
CID 1570036
N1-(1,3-thiazol-2-yl)-3-(4-fluorophenoxy)propanamide
CID 2739506
US10913733, Example 42
CID 137361278
2-(4-ethoxyphenoxy)-N-1,3-thiazol-2-ylacetamide
CID 732622
3-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 977973
(E)-3-(5-methylfuran-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 2673021

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-4-phenoxybutanamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-4-phenoxybutanamide (CID 2673048) is N-(5-methyl-1,3-thiazol-2-yl)-4-phenoxybutanamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-4-phenoxybutanamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-4-phenoxybutanamide is Cc1cnc(NC(=O)CCCOc2ccccc2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-4-phenoxybutanamide?
The InChIKey is MWHQQWNHUURCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-11-10-15-14(19-11)16-13(17)8-5-9-18-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3,(H,15,16,17).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-4-phenoxybutanamide?
N-(5-methyl-1,3-thiazol-2-yl)-4-phenoxybutanamide has a molecular weight of 276.36 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-4-phenoxybutanamide is sourced from PubChem (CID 2673048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).