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

C14H14N4O2S — CID 155556851

IUPAC4-[(5-cyano-3-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cnc(NC(=O)CCCOc2cncc(C#N)c2)s1
InChIInChI=1S/C14H14N4O2S/c1-10-7-17-14(21-10)18-13(19)3-2-4-20-12-5-11(6-15)8-16-9-12/h5,7-9H,2-4H2,1H3,(H,17,18,19)
InChIKeyJUTJAVKNYIKTML-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.52
Rot. Bonds6

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

4-[(5-cyano-3-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 155556851) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 4-[(5-cyano-3-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-[(5-cyano-3-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID155556851
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name4-[(5-cyano-3-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cnc(NC(=O)CCCOc2cncc(C#N)c2)s1
InChIInChI=1S/C14H14N4O2S/c1-10-7-17-14(21-10)18-13(19)3-2-4-20-12-5-11(6-15)8-16-9-12/h5,7-9H,2-4H2,1H3,(H,17,18,19)
InChIKeyJUTJAVKNYIKTML-UHFFFAOYSA-N
XLogP2.52
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(5-chloro-3-pyridyl)oxy]-N-(5-methylthiazol-2-yl)butanamide
CID 155518226
N-(5-methylthiazol-2-yl)-4-[[4-(trifluoromethyl)-2-pyridyl]oxy]butanamide
CID 155521424
N-(5-methylthiazol-2-yl)-4-[[5-(trifluoromethyl)-3-pyridyl]oxy]butanamide
CID 155549471
4-[(4-cyano-2-pyridyl)oxy]-N-(5-methylthiazol-2-yl)butanamide
CID 155552810
US20240308995, Example 1-115
CID 153550421
1-ethyl-1-[(2S)-2-hydroxypropyl]-3-[5-[[5-(trifluoromethyl)-3-pyridinyl]oxy]-1,3-thiazol-2-yl]urea
CID 167327030
(S)-1-Ethyl-3-[5-[(5-fluoro-3-pyridyl)oxy]-2-thiazolyl]-1-(2-hydroxypropyl)urea
CID 167327047
1-[(2S)-2-hydroxypropyl]-1-methyl-3-[5-[[5-(trifluoromethyl)-3-pyridinyl]oxy]-1,3-thiazol-2-yl]urea
CID 167327117
3-[5-[(5-fluoro-3-pyridinyl)oxy]-1,3-thiazol-2-yl]-1-[(2S)-2-hydroxypropyl]-1-methylurea
CID 167327131
N-[5-[(5-fluoro-3-pyridinyl)oxy]-1,3-thiazol-2-yl]-4-methyloxane-4-carboxamide
CID 167327139
1-Methyl-1-propyl-3-[5-[[5-(trifluoromethyl)-3-pyridinyl]oxy]-1,3-thiazol-2-yl]urea
CID 177969454
US20240308995, Example 1-16
CID 153550536

Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyano-3-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-[(5-cyano-3-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide (CID 155556851) is 4-[(5-cyano-3-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-[(5-cyano-3-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-[(5-cyano-3-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide is Cc1cnc(NC(=O)CCCOc2cncc(C#N)c2)s1.
What is the InChIKey of 4-[(5-cyano-3-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is JUTJAVKNYIKTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-10-7-17-14(21-10)18-13(19)3-2-4-20-12-5-11(6-15)8-16-9-12/h5,7-9H,2-4H2,1H3,(H,17,18,19).
What are the key properties of 4-[(5-cyano-3-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
4-[(5-cyano-3-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 302.36 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyano-3-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 155556851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).