N-[4-(4-methoxyphenyl)-5-phenyl-1,3-thiazol-2-yl]acetamide

C18H16N2O2S — CID 1252674

IUPACN-[4-(4-methoxyphenyl)-5-phenyl-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2nc(NC(C)=O)sc2-c2ccccc2)cc1
InChIInChI=1S/C18H16N2O2S/c1-12(21)19-18-20-16(13-8-10-15(22-2)11-9-13)17(23-18)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,20,21)
InChIKeyXGYPDABJDSAHED-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.44
Rot. Bonds4

About N-[4-(4-methoxyphenyl)-5-phenyl-1,3-thiazol-2-yl]acetamide

N-[4-(4-methoxyphenyl)-5-phenyl-1,3-thiazol-2-yl]acetamide (PubChem CID 1252674) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-5-phenyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-5-phenyl-1,3-thiazol-2-yl]acetamide
PubChem CID1252674
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC NameN-[4-(4-methoxyphenyl)-5-phenyl-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2nc(NC(C)=O)sc2-c2ccccc2)cc1
InChIInChI=1S/C18H16N2O2S/c1-12(21)19-18-20-16(13-8-10-15(22-2)11-9-13)17(23-18)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,20,21)
InChIKeyXGYPDABJDSAHED-UHFFFAOYSA-N
XLogP4.44
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

T16AInh-A01
CID 135460621
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CID 16799558
4-{4-[(4-Methoxyphenyl)methyl]phenyl}-1,3-thiazol-2-amine
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5-(4-Methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
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A1AR antagonist 3
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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-5-phenyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-5-phenyl-1,3-thiazol-2-yl]acetamide (CID 1252674) is N-[4-(4-methoxyphenyl)-5-phenyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-5-phenyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-5-phenyl-1,3-thiazol-2-yl]acetamide is COc1ccc(-c2nc(NC(C)=O)sc2-c2ccccc2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-5-phenyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is XGYPDABJDSAHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-12(21)19-18-20-16(13-8-10-15(22-2)11-9-13)17(23-18)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,20,21).
What are the key properties of N-[4-(4-methoxyphenyl)-5-phenyl-1,3-thiazol-2-yl]acetamide?
N-[4-(4-methoxyphenyl)-5-phenyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 324.41 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-5-phenyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 1252674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).