N-[5-[2-(phenoxymethyl)phenyl]-1,3-thiazol-2-yl]pentanamide

C21H22N2O2S — CID 142675772

IUPACN-[5-[2-(phenoxymethyl)phenyl]-1,3-thiazol-2-yl]pentanamide
SMILESCCCCC(=O)Nc1ncc(-c2ccccc2COc2ccccc2)s1
InChIInChI=1S/C21H22N2O2S/c1-2-3-13-20(24)23-21-22-14-19(26-21)18-12-8-7-9-16(18)15-25-17-10-5-4-6-11-17/h4-12,14H,2-3,13,15H2,1H3,(H,22,23,24)
InChIKeyHIIZYRPSLZZBHI-UHFFFAOYSA-N
MW366.49 g/mol
LogP5.52
Rot. Bonds8

About N-[5-[2-(phenoxymethyl)phenyl]-1,3-thiazol-2-yl]pentanamide

N-[5-[2-(phenoxymethyl)phenyl]-1,3-thiazol-2-yl]pentanamide (PubChem CID 142675772) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is N-[5-[2-(phenoxymethyl)phenyl]-1,3-thiazol-2-yl]pentanamide.

Molecular Properties

Compound NameN-[5-[2-(phenoxymethyl)phenyl]-1,3-thiazol-2-yl]pentanamide
PubChem CID142675772
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC NameN-[5-[2-(phenoxymethyl)phenyl]-1,3-thiazol-2-yl]pentanamide
SMILESCCCCC(=O)Nc1ncc(-c2ccccc2COc2ccccc2)s1
InChIInChI=1S/C21H22N2O2S/c1-2-3-13-20(24)23-21-22-14-19(26-21)18-12-8-7-9-16(18)15-25-17-10-5-4-6-11-17/h4-12,14H,2-3,13,15H2,1H3,(H,22,23,24)
InChIKeyHIIZYRPSLZZBHI-UHFFFAOYSA-N
XLogP5.52
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 ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(phenoxymethyl)phenyl]-1,3-thiazol-2-yl]pentanamide?
The IUPAC name of N-[5-[2-(phenoxymethyl)phenyl]-1,3-thiazol-2-yl]pentanamide (CID 142675772) is N-[5-[2-(phenoxymethyl)phenyl]-1,3-thiazol-2-yl]pentanamide.
What is the SMILES notation for N-[5-[2-(phenoxymethyl)phenyl]-1,3-thiazol-2-yl]pentanamide?
The canonical SMILES for N-[5-[2-(phenoxymethyl)phenyl]-1,3-thiazol-2-yl]pentanamide is CCCCC(=O)Nc1ncc(-c2ccccc2COc2ccccc2)s1.
What is the InChIKey of N-[5-[2-(phenoxymethyl)phenyl]-1,3-thiazol-2-yl]pentanamide?
The InChIKey is HIIZYRPSLZZBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-2-3-13-20(24)23-21-22-14-19(26-21)18-12-8-7-9-16(18)15-25-17-10-5-4-6-11-17/h4-12,14H,2-3,13,15H2,1H3,(H,22,23,24).
What are the key properties of N-[5-[2-(phenoxymethyl)phenyl]-1,3-thiazol-2-yl]pentanamide?
N-[5-[2-(phenoxymethyl)phenyl]-1,3-thiazol-2-yl]pentanamide has a molecular weight of 366.49 g/mol, XLogP of 5.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(phenoxymethyl)phenyl]-1,3-thiazol-2-yl]pentanamide is sourced from PubChem (CID 142675772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).