N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]acetamide

C15H17N3O2S — CID 110351882

IUPACN-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]acetamide
SMILESCC(=O)NCCc1csc(-c2ccc(NC(C)=O)cc2)n1
InChIInChI=1S/C15H17N3O2S/c1-10(19)16-8-7-14-9-21-15(18-14)12-3-5-13(6-4-12)17-11(2)20/h3-6,9H,7-8H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyDIWLKQYNCLQVQO-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.45
Rot. Bonds5

About N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]acetamide

N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]acetamide (PubChem CID 110351882) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]acetamide
PubChem CID110351882
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]acetamide
SMILESCC(=O)NCCc1csc(-c2ccc(NC(C)=O)cc2)n1
InChIInChI=1S/C15H17N3O2S/c1-10(19)16-8-7-14-9-21-15(18-14)12-3-5-13(6-4-12)17-11(2)20/h3-6,9H,7-8H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyDIWLKQYNCLQVQO-UHFFFAOYSA-N
XLogP2.45
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
CID 110351886
ethyl N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]carbamate
CID 110351919
N'-(4-methylphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide
CID 7287534
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(4-methylphenyl)oxamide
CID 7216639
2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]-N-(3-methoxypropyl)acetamide
CID 110342181
4-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287432
1-(4-chlorophenyl)-3-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]urea
CID 110285049
1,1-dimethyl-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea
CID 110317361
N-[4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]phenyl]acetamide
CID 4789560
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-phenyloxamide
CID 7522158
methyl 4-[[2-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethylamino]-2-oxoacetyl]amino]benzoate
CID 20965753
N-[3-[4-[2-(diethylcarbamoylamino)ethyl]-1,3-thiazol-2-yl]phenyl]acetamide
CID 110351971

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]acetamide?
The IUPAC name of N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]acetamide (CID 110351882) is N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]acetamide is CC(=O)NCCc1csc(-c2ccc(NC(C)=O)cc2)n1.
What is the InChIKey of N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]acetamide?
The InChIKey is DIWLKQYNCLQVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-10(19)16-8-7-14-9-21-15(18-14)12-3-5-13(6-4-12)17-11(2)20/h3-6,9H,7-8H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]acetamide?
N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]acetamide has a molecular weight of 303.39 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]acetamide is sourced from PubChem (CID 110351882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).