2-(4-acetamidophenyl)-N,N-diethyl-5-methyl-1,3-thiazole-4-carboxamide

C17H21N3O2S — CID 110342385

IUPAC2-(4-acetamidophenyl)-N,N-diethyl-5-methyl-1,3-thiazole-4-carboxamide
SMILESCCN(CC)C(=O)c1nc(-c2ccc(NC(C)=O)cc2)sc1C
InChIInChI=1S/C17H21N3O2S/c1-5-20(6-2)17(22)15-11(3)23-16(19-15)13-7-9-14(10-8-13)18-12(4)21/h7-10H,5-6H2,1-4H3,(H,18,21)
InChIKeyXSRJOZKRYINGNS-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.56
Rot. Bonds5

About 2-(4-acetamidophenyl)-N,N-diethyl-5-methyl-1,3-thiazole-4-carboxamide

2-(4-acetamidophenyl)-N,N-diethyl-5-methyl-1,3-thiazole-4-carboxamide (PubChem CID 110342385) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N,N-diethyl-5-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N,N-diethyl-5-methyl-1,3-thiazole-4-carboxamide
PubChem CID110342385
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name2-(4-acetamidophenyl)-N,N-diethyl-5-methyl-1,3-thiazole-4-carboxamide
SMILESCCN(CC)C(=O)c1nc(-c2ccc(NC(C)=O)cc2)sc1C
InChIInChI=1S/C17H21N3O2S/c1-5-20(6-2)17(22)15-11(3)23-16(19-15)13-7-9-14(10-8-13)18-12(4)21/h7-10H,5-6H2,1-4H3,(H,18,21)
InChIKeyXSRJOZKRYINGNS-UHFFFAOYSA-N
XLogP3.56
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetamidophenyl)-5-methyl-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide
CID 110342389
2-(4-acetamidophenyl)-5-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 110342379
2-(4-acetamidophenyl)-N-tert-butyl-5-methyl-1,3-thiazole-4-carboxamide
CID 110342387
2-(4-acetamidophenyl)-5-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 110342355
5-methyl-2-phenyl-N-propyl-1,3-thiazole-4-carboxamide
CID 110647228
5-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 15623088
1-N-(4-acetamidophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048426
N-[4-[2-[(diethylcarbamoylamino)methyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 110351825
2-(4-ethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 80503622
N,N-diethyl-2-[(4-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16897694
N-[(4-acetamidophenyl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 24628898
N-[3-[4-(4-ethylpiperazine-1-carbonyl)-5-methyl-1,3-thiazol-2-yl]phenyl]acetamide
CID 110342446

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N,N-diethyl-5-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-acetamidophenyl)-N,N-diethyl-5-methyl-1,3-thiazole-4-carboxamide (CID 110342385) is 2-(4-acetamidophenyl)-N,N-diethyl-5-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N,N-diethyl-5-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N,N-diethyl-5-methyl-1,3-thiazole-4-carboxamide is CCN(CC)C(=O)c1nc(-c2ccc(NC(C)=O)cc2)sc1C.
What is the InChIKey of 2-(4-acetamidophenyl)-N,N-diethyl-5-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is XSRJOZKRYINGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-5-20(6-2)17(22)15-11(3)23-16(19-15)13-7-9-14(10-8-13)18-12(4)21/h7-10H,5-6H2,1-4H3,(H,18,21).
What are the key properties of 2-(4-acetamidophenyl)-N,N-diethyl-5-methyl-1,3-thiazole-4-carboxamide?
2-(4-acetamidophenyl)-N,N-diethyl-5-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N,N-diethyl-5-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110342385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).