4-pentoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

C21H22N2O2S — CID 4114659

IUPAC4-pentoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCCCCCOc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C21H22N2O2S/c1-2-3-7-14-25-18-12-10-17(11-13-18)20(24)23-21-22-19(15-26-21)16-8-5-4-6-9-16/h4-6,8-13,15H,2-3,7,14H2,1H3,(H,22,23,24)
InChIKeyWSAKIXSZBINZOI-UHFFFAOYSA-N
MW366.49 g/mol
LogP5.63
Rot. Bonds8

About 4-pentoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

4-pentoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 4114659) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 4-pentoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-pentoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
PubChem CID4114659
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name4-pentoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCCCCCOc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C21H22N2O2S/c1-2-3-7-14-25-18-12-10-17(11-13-18)20(24)23-21-22-19(15-26-21)16-8-5-4-6-9-16/h4-6,8-13,15H,2-3,7,14H2,1H3,(H,22,23,24)
InChIKeyWSAKIXSZBINZOI-UHFFFAOYSA-N
XLogP5.63
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.49
LogP ≤ 55.63
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-benzoyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 5235425
3-pentoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4686613
4-butoxy-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3302590
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-iodobenzamide
CID 19197481
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 19195208
4-heptoxy-N-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4501198
N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-butoxybenzamide
CID 5048299
4-ethylsulfanyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 41044361
3-(4-butoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 4138208
4-(dibutylsulfamoyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4098935
4-heptoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4500684
3-butoxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 3524855

Frequently Asked Questions

What is the IUPAC name of 4-pentoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-pentoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (CID 4114659) is 4-pentoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-pentoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-pentoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is CCCCCOc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of 4-pentoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is WSAKIXSZBINZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-2-3-7-14-25-18-12-10-17(11-13-18)20(24)23-21-22-19(15-26-21)16-8-5-4-6-9-16/h4-6,8-13,15H,2-3,7,14H2,1H3,(H,22,23,24).
What are the key properties of 4-pentoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
4-pentoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 366.49 g/mol, XLogP of 5.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 4114659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).