N-butyl-4-(1,3-thiazol-2-yloxy)benzamide

C14H16N2O2S — CID 91813695

IUPACN-butyl-4-(1,3-thiazol-2-yloxy)benzamide
SMILESCCCCNC(=O)c1ccc(Oc2nccs2)cc1
InChIInChI=1S/C14H16N2O2S/c1-2-3-8-15-13(17)11-4-6-12(7-5-11)18-14-16-9-10-19-14/h4-7,9-10H,2-3,8H2,1H3,(H,15,17)
InChIKeyGPZKQMXUANUGEK-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.47
Rot. Bonds6

About N-butyl-4-(1,3-thiazol-2-yloxy)benzamide

N-butyl-4-(1,3-thiazol-2-yloxy)benzamide (PubChem CID 91813695) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-butyl-4-(1,3-thiazol-2-yloxy)benzamide.

Molecular Properties

Compound NameN-butyl-4-(1,3-thiazol-2-yloxy)benzamide
PubChem CID91813695
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-butyl-4-(1,3-thiazol-2-yloxy)benzamide
SMILESCCCCNC(=O)c1ccc(Oc2nccs2)cc1
InChIInChI=1S/C14H16N2O2S/c1-2-3-8-15-13(17)11-4-6-12(7-5-11)18-14-16-9-10-19-14/h4-7,9-10H,2-3,8H2,1H3,(H,15,17)
InChIKeyGPZKQMXUANUGEK-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
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

N-butyl-4-(1,3-thiazol-2-yl)benzamide
CID 110690289
N-octadecyl-4-[4-(octadecylcarbamoyl)phenoxy]benzamide
CID 44665422
N-butyl-4-propoxybenzamide
CID 17142951
4-butoxy-N-hexadecylbenzamide
CID 4936106
4-(1,3-thiazol-2-yloxy)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166290
3,5-ditert-butyl-N-[[4-(1,3-thiazol-2-yloxy)phenyl]methyl]benzamide
CID 121145013
2-(4-propoxyphenoxy)-1,3-thiazole
CID 175814412
N-butylpyridine-4-carboxamide
CID 5030535
N-decyl-4-ethoxybenzamide
CID 4123784
N-butyl-4-[2-oxo-2-(pentylamino)ethoxy]benzamide
CID 4846679
4-methoxy-N-pentylbenzamide
CID 3113360
N-[(6-pyridin-3-yl-3-pyridinyl)methyl]-4-(1,3-thiazol-2-yloxy)benzamide
CID 91625934

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(1,3-thiazol-2-yloxy)benzamide?
The IUPAC name of N-butyl-4-(1,3-thiazol-2-yloxy)benzamide (CID 91813695) is N-butyl-4-(1,3-thiazol-2-yloxy)benzamide.
What is the SMILES notation for N-butyl-4-(1,3-thiazol-2-yloxy)benzamide?
The canonical SMILES for N-butyl-4-(1,3-thiazol-2-yloxy)benzamide is CCCCNC(=O)c1ccc(Oc2nccs2)cc1.
What is the InChIKey of N-butyl-4-(1,3-thiazol-2-yloxy)benzamide?
The InChIKey is GPZKQMXUANUGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-2-3-8-15-13(17)11-4-6-12(7-5-11)18-14-16-9-10-19-14/h4-7,9-10H,2-3,8H2,1H3,(H,15,17).
What are the key properties of N-butyl-4-(1,3-thiazol-2-yloxy)benzamide?
N-butyl-4-(1,3-thiazol-2-yloxy)benzamide has a molecular weight of 276.36 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(1,3-thiazol-2-yloxy)benzamide is sourced from PubChem (CID 91813695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).