4-[(5-chloro-3-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide

C13H14ClN3O2S — CID 155518226

IUPAC4-[(5-chloro-3-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cnc(NC(=O)CCCOc2cncc(Cl)c2)s1
InChIInChI=1S/C13H14ClN3O2S/c1-9-6-16-13(20-9)17-12(18)3-2-4-19-11-5-10(14)7-15-8-11/h5-8H,2-4H2,1H3,(H,16,17,18)
InChIKeyXUPYCHMBUNHQEX-UHFFFAOYSA-N
MW311.79 g/mol
LogP3.30
Rot. Bonds6

About 4-[(5-chloro-3-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide

4-[(5-chloro-3-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 155518226) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 4-[(5-chloro-3-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-[(5-chloro-3-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID155518226
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name4-[(5-chloro-3-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cnc(NC(=O)CCCOc2cncc(Cl)c2)s1
InChIInChI=1S/C13H14ClN3O2S/c1-9-6-16-13(20-9)17-12(18)3-2-4-19-11-5-10(14)7-15-8-11/h5-8H,2-4H2,1H3,(H,16,17,18)
InChIKeyXUPYCHMBUNHQEX-UHFFFAOYSA-N
XLogP3.30
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(5-chloro-3-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-[(5-chloro-3-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide (CID 155518226) is 4-[(5-chloro-3-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-[(5-chloro-3-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-[(5-chloro-3-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide is Cc1cnc(NC(=O)CCCOc2cncc(Cl)c2)s1.
What is the InChIKey of 4-[(5-chloro-3-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is XUPYCHMBUNHQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c1-9-6-16-13(20-9)17-12(18)3-2-4-19-11-5-10(14)7-15-8-11/h5-8H,2-4H2,1H3,(H,16,17,18).
What are the key properties of 4-[(5-chloro-3-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
4-[(5-chloro-3-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 311.79 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-3-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 155518226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).