N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]pentanamide

C20H20N2OS — CID 7065716

IUPACN-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]pentanamide
SMILESCCCCC(=O)Nc1cccc(-c2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C20H20N2OS/c1-2-3-12-19(23)21-17-11-7-10-16(13-17)18-14-24-20(22-18)15-8-5-4-6-9-15/h4-11,13-14H,2-3,12H2,1H3,(H,21,23)
InChIKeyIMOQOQWPLGXQLC-UHFFFAOYSA-N
MW336.46 g/mol
LogP5.61
Rot. Bonds6

About N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]pentanamide

N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]pentanamide (PubChem CID 7065716) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]pentanamide.

Molecular Properties

Compound NameN-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]pentanamide
PubChem CID7065716
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC NameN-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]pentanamide
SMILESCCCCC(=O)Nc1cccc(-c2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C20H20N2OS/c1-2-3-12-19(23)21-17-11-7-10-16(13-17)18-14-24-20(22-18)15-8-5-4-6-9-15/h4-11,13-14H,2-3,12H2,1H3,(H,21,23)
InChIKeyIMOQOQWPLGXQLC-UHFFFAOYSA-N
XLogP5.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.46
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]pentanamide?
The IUPAC name of N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]pentanamide (CID 7065716) is N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]pentanamide.
What is the SMILES notation for N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]pentanamide?
The canonical SMILES for N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]pentanamide is CCCCC(=O)Nc1cccc(-c2csc(-c3ccccc3)n2)c1.
What is the InChIKey of N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]pentanamide?
The InChIKey is IMOQOQWPLGXQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS/c1-2-3-12-19(23)21-17-11-7-10-16(13-17)18-14-24-20(22-18)15-8-5-4-6-9-15/h4-11,13-14H,2-3,12H2,1H3,(H,21,23).
What are the key properties of N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]pentanamide?
N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]pentanamide has a molecular weight of 336.46 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]pentanamide is sourced from PubChem (CID 7065716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).