2-(2-acetamido-1,3-thiazol-4-yl)-N-(4-ethoxyphenyl)acetamide

C15H17N3O3S — CID 18568208

IUPAC2-(2-acetamido-1,3-thiazol-4-yl)-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)Cc2csc(NC(C)=O)n2)cc1
InChIInChI=1S/C15H17N3O3S/c1-3-21-13-6-4-11(5-7-13)17-14(20)8-12-9-22-15(18-12)16-10(2)19/h4-7,9H,3,8H2,1-2H3,(H,17,20)(H,16,18,19)
InChIKeyIVCRTKMUXIRTJC-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.68
Rot. Bonds6

About 2-(2-acetamido-1,3-thiazol-4-yl)-N-(4-ethoxyphenyl)acetamide

2-(2-acetamido-1,3-thiazol-4-yl)-N-(4-ethoxyphenyl)acetamide (PubChem CID 18568208) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-(2-acetamido-1,3-thiazol-4-yl)-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-acetamido-1,3-thiazol-4-yl)-N-(4-ethoxyphenyl)acetamide
PubChem CID18568208
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name2-(2-acetamido-1,3-thiazol-4-yl)-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)Cc2csc(NC(C)=O)n2)cc1
InChIInChI=1S/C15H17N3O3S/c1-3-21-13-6-4-11(5-7-13)17-14(20)8-12-9-22-15(18-12)16-10(2)19/h4-7,9H,3,8H2,1-2H3,(H,17,20)(H,16,18,19)
InChIKeyIVCRTKMUXIRTJC-UHFFFAOYSA-N
XLogP2.68
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-anilino-1,3-thiazol-4-yl)-N-(4-ethoxyphenyl)acetamide
CID 27377773
2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 27652941
methyl 4-[[2-(2-acetamido-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 41227458
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 55569763
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 55658227
N-(3-acetamidophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46584283
N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567910
2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 110386278
N-(4-methylphenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567499
N-(3-acetamido-4-methoxyphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 37081428
N-[4-[3-(dimethylamino)propoxy]phenyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 86898181
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamido-1,3-thiazol-4-yl)-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-(2-acetamido-1,3-thiazol-4-yl)-N-(4-ethoxyphenyl)acetamide (CID 18568208) is 2-(2-acetamido-1,3-thiazol-4-yl)-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-acetamido-1,3-thiazol-4-yl)-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-(2-acetamido-1,3-thiazol-4-yl)-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)Cc2csc(NC(C)=O)n2)cc1.
What is the InChIKey of 2-(2-acetamido-1,3-thiazol-4-yl)-N-(4-ethoxyphenyl)acetamide?
The InChIKey is IVCRTKMUXIRTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-3-21-13-6-4-11(5-7-13)17-14(20)8-12-9-22-15(18-12)16-10(2)19/h4-7,9H,3,8H2,1-2H3,(H,17,20)(H,16,18,19).
What are the key properties of 2-(2-acetamido-1,3-thiazol-4-yl)-N-(4-ethoxyphenyl)acetamide?
2-(2-acetamido-1,3-thiazol-4-yl)-N-(4-ethoxyphenyl)acetamide has a molecular weight of 319.39 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamido-1,3-thiazol-4-yl)-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 18568208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).