4-ethoxy-N-(5-phenyl-1,3-thiazol-2-yl)butanamide

C15H18N2O2S — CID 94124993

IUPAC4-ethoxy-N-(5-phenyl-1,3-thiazol-2-yl)butanamide
SMILESCCOCCCC(=O)Nc1ncc(-c2ccccc2)s1
InChIInChI=1S/C15H18N2O2S/c1-2-19-10-6-9-14(18)17-15-16-11-13(20-15)12-7-4-3-5-8-12/h3-5,7-8,11H,2,6,9-10H2,1H3,(H,16,17,18)
InChIKeyXDTLESHNEASLCZ-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.57
Rot. Bonds7

About 4-ethoxy-N-(5-phenyl-1,3-thiazol-2-yl)butanamide

4-ethoxy-N-(5-phenyl-1,3-thiazol-2-yl)butanamide (PubChem CID 94124993) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-ethoxy-N-(5-phenyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-ethoxy-N-(5-phenyl-1,3-thiazol-2-yl)butanamide
PubChem CID94124993
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name4-ethoxy-N-(5-phenyl-1,3-thiazol-2-yl)butanamide
SMILESCCOCCCC(=O)Nc1ncc(-c2ccccc2)s1
InChIInChI=1S/C15H18N2O2S/c1-2-19-10-6-9-14(18)17-15-16-11-13(20-15)12-7-4-3-5-8-12/h3-5,7-8,11H,2,6,9-10H2,1H3,(H,16,17,18)
InChIKeyXDTLESHNEASLCZ-UHFFFAOYSA-N
XLogP3.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.57
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-ethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide
CID 71999021
2-(cyclopropylmethylamino)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
CID 119720410
4-ethoxy-N-phenylbutanamide
CID 112728021
2-(cyclopropylmethylamino)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 119720409
3-methyl-5-oxo-5-[(5-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid
CID 155962659
2-cyano-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
CID 146190140
4-(4-ethoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 3343017
2-(2-fluorophenyl)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
CID 47028162
4-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 33004637
N-(5-phenyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 10125249
ethyl (2R,3R)-2-methyl-3-[(5-phenyl-1,3-thiazol-2-yl)carbamoylamino]butanoate
CID 99783909
ethyl 2-methyl-3-[(5-phenyl-1,3-thiazol-2-yl)carbamoylamino]butanoate
CID 86815396

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(5-phenyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-ethoxy-N-(5-phenyl-1,3-thiazol-2-yl)butanamide (CID 94124993) is 4-ethoxy-N-(5-phenyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-ethoxy-N-(5-phenyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-ethoxy-N-(5-phenyl-1,3-thiazol-2-yl)butanamide is CCOCCCC(=O)Nc1ncc(-c2ccccc2)s1.
What is the InChIKey of 4-ethoxy-N-(5-phenyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is XDTLESHNEASLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-2-19-10-6-9-14(18)17-15-16-11-13(20-15)12-7-4-3-5-8-12/h3-5,7-8,11H,2,6,9-10H2,1H3,(H,16,17,18).
What are the key properties of 4-ethoxy-N-(5-phenyl-1,3-thiazol-2-yl)butanamide?
4-ethoxy-N-(5-phenyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 290.39 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(5-phenyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 94124993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).