4-phenoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide

C16H20N2O2S — CID 145420163

IUPAC4-phenoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide
SMILESCC(C)c1cnc(NC(=O)CCCOc2ccccc2)s1
InChIInChI=1S/C16H20N2O2S/c1-12(2)14-11-17-16(21-14)18-15(19)9-6-10-20-13-7-4-3-5-8-13/h3-5,7-8,11-12H,6,9-10H2,1-2H3,(H,17,18,19)
InChIKeyRGVCSUAWVYAQNH-UHFFFAOYSA-N
MW304.41 g/mol
LogP4.06
Rot. Bonds7

About 4-phenoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide

4-phenoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide (PubChem CID 145420163) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is 4-phenoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-phenoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide
PubChem CID145420163
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC Name4-phenoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide
SMILESCC(C)c1cnc(NC(=O)CCCOc2ccccc2)s1
InChIInChI=1S/C16H20N2O2S/c1-12(2)14-11-17-16(21-14)18-15(19)9-6-10-20-13-7-4-3-5-8-13/h3-5,7-8,11-12H,6,9-10H2,1-2H3,(H,17,18,19)
InChIKeyRGVCSUAWVYAQNH-UHFFFAOYSA-N
XLogP4.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 54.06
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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Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-phenoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide (CID 145420163) is 4-phenoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-phenoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-phenoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide is CC(C)c1cnc(NC(=O)CCCOc2ccccc2)s1.
What is the InChIKey of 4-phenoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide?
The InChIKey is RGVCSUAWVYAQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-12(2)14-11-17-16(21-14)18-15(19)9-6-10-20-13-7-4-3-5-8-13/h3-5,7-8,11-12H,6,9-10H2,1-2H3,(H,17,18,19).
What are the key properties of 4-phenoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide?
4-phenoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide has a molecular weight of 304.41 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 145420163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).