2-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide

C16H20N2OS — CID 896069

IUPAC2-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide
SMILESCCC(CC)C(=O)Nc1nc(-c2ccc(C)cc2)cs1
InChIInChI=1S/C16H20N2OS/c1-4-12(5-2)15(19)18-16-17-14(10-20-16)13-8-6-11(3)7-9-13/h6-10,12H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyUGKJROCDBZVWLR-UHFFFAOYSA-N
MW288.42 g/mol
LogP4.49
Rot. Bonds5

About 2-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide

2-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide (PubChem CID 896069) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide
PubChem CID896069
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name2-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide
SMILESCCC(CC)C(=O)Nc1nc(-c2ccc(C)cc2)cs1
InChIInChI=1S/C16H20N2OS/c1-4-12(5-2)15(19)18-16-17-14(10-20-16)13-8-6-11(3)7-9-13/h6-10,12H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyUGKJROCDBZVWLR-UHFFFAOYSA-N
XLogP4.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]butanamide
CID 4166054
2-ethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)butanamide
CID 110441776
2-ethyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]butanamide
CID 112771343
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-ethylbutanamide
CID 112794584
2-ethyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]hexanamide
CID 3619890
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-ethylbutanamide
CID 39072128
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
CID 19173213
2,2-dichloro-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 4072325
2-amino-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 139386677
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide
CID 46304773
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]hexadecanamide
CID 4161318
2-(aminomethyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 65228872

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide?
The IUPAC name of 2-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide (CID 896069) is 2-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for 2-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for 2-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide is CCC(CC)C(=O)Nc1nc(-c2ccc(C)cc2)cs1.
What is the InChIKey of 2-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide?
The InChIKey is UGKJROCDBZVWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-4-12(5-2)15(19)18-16-17-14(10-20-16)13-8-6-11(3)7-9-13/h6-10,12H,4-5H2,1-3H3,(H,17,18,19).
What are the key properties of 2-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide?
2-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 288.42 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 896069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).