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

C17H21N3O3S — CID 110342181

IUPAC2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cc1csc(-c2ccc(NC(C)=O)cc2)n1
InChIInChI=1S/C17H21N3O3S/c1-12(21)19-14-6-4-13(5-7-14)17-20-15(11-24-17)10-16(22)18-8-3-9-23-2/h4-7,11H,3,8-10H2,1-2H3,(H,18,22)(H,19,21)
InChIKeySIDMOMLBNVCTOG-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.46
Rot. Bonds8

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

2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]-N-(3-methoxypropyl)acetamide (PubChem CID 110342181) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]-N-(3-methoxypropyl)acetamide
PubChem CID110342181
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)Cc1csc(-c2ccc(NC(C)=O)cc2)n1
InChIInChI=1S/C17H21N3O3S/c1-12(21)19-14-6-4-13(5-7-14)17-20-15(11-24-17)10-16(22)18-8-3-9-23-2/h4-7,11H,3,8-10H2,1-2H3,(H,18,22)(H,19,21)
InChIKeySIDMOMLBNVCTOG-UHFFFAOYSA-N
XLogP2.46
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-acetamidophenyl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 18153830
2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-butylacetamide
CID 110342257
2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-(3-methoxypropyl)acetamide
CID 110450334
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 55658227
N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]acetamide
CID 110351882
N-[2-(4-methoxyphenoxy)ethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 24516189
2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 110342205
N-hexyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 32646390
ethyl 4-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoate
CID 37258678
2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-(3-hydroxypropyl)acetamide
CID 82547964
4-[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 119170578
2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]-N-(2,3-dimethylphenyl)acetamide
CID 110342233

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]-N-(3-methoxypropyl)acetamide (CID 110342181) is 2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)Cc1csc(-c2ccc(NC(C)=O)cc2)n1.
What is the InChIKey of 2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]-N-(3-methoxypropyl)acetamide?
The InChIKey is SIDMOMLBNVCTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-12(21)19-14-6-4-13(5-7-14)17-20-15(11-24-17)10-16(22)18-8-3-9-23-2/h4-7,11H,3,8-10H2,1-2H3,(H,18,22)(H,19,21).
What are the key properties of 2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]-N-(3-methoxypropyl)acetamide?
2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]-N-(3-methoxypropyl)acetamide has a molecular weight of 347.44 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 110342181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).