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

C20H20N2O2S — CID 3414920

IUPAC2-phenyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCCOc1ccc(-c2csc(NC(=O)Cc3ccccc3)n2)cc1
InChIInChI=1S/C20H20N2O2S/c1-2-12-24-17-10-8-16(9-11-17)18-14-25-20(21-18)22-19(23)13-15-6-4-3-5-7-15/h3-11,14H,2,12-13H2,1H3,(H,21,22,23)
InChIKeyXXZXBOKOZNWHGL-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.78
Rot. Bonds7

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

2-phenyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 3414920) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-phenyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID3414920
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name2-phenyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCCOc1ccc(-c2csc(NC(=O)Cc3ccccc3)n2)cc1
InChIInChI=1S/C20H20N2O2S/c1-2-12-24-17-10-8-16(9-11-17)18-14-25-20(21-18)22-19(23)13-15-6-4-3-5-7-15/h3-11,14H,2,12-13H2,1H3,(H,21,22,23)
InChIKeyXXZXBOKOZNWHGL-UHFFFAOYSA-N
XLogP4.78
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 7920230
N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-4-(4-propylphenoxy)butanamide
CID 19191455
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenyl)acetamide
CID 43951157
4-benzoyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 5235425
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide
CID 19173206
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 7918677
4-(benzenesulfonyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 41273043
(2R)-2-phenoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 7920239
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-chloroacetamide
CID 19194823
4-(4-chlorophenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 19184059
2-(2-bromo-4-phenylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19178686
2-(4-ethylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 43951133

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-phenyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide (CID 3414920) is 2-phenyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-phenyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-phenyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide is CCCOc1ccc(-c2csc(NC(=O)Cc3ccccc3)n2)cc1.
What is the InChIKey of 2-phenyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is XXZXBOKOZNWHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-2-12-24-17-10-8-16(9-11-17)18-14-25-20(21-18)22-19(23)13-15-6-4-3-5-7-15/h3-11,14H,2,12-13H2,1H3,(H,21,22,23).
What are the key properties of 2-phenyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide?
2-phenyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 352.46 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 3414920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).