2-ethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)butanamide

C19H20N2OS — CID 110441776

IUPAC2-ethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)butanamide
SMILESCCC(CC)C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C19H20N2OS/c1-3-13(4-2)18(22)21-19-20-17(12-23-19)16-10-9-14-7-5-6-8-15(14)11-16/h5-13H,3-4H2,1-2H3,(H,20,21,22)
InChIKeyBGHMLMJEELZDDJ-UHFFFAOYSA-N
MW324.45 g/mol
LogP5.34
Rot. Bonds5

About 2-ethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)butanamide

2-ethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)butanamide (PubChem CID 110441776) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-ethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name2-ethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)butanamide
PubChem CID110441776
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name2-ethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)butanamide
SMILESCCC(CC)C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C19H20N2OS/c1-3-13(4-2)18(22)21-19-20-17(12-23-19)16-10-9-14-7-5-6-8-15(14)11-16/h5-13H,3-4H2,1-2H3,(H,20,21,22)
InChIKeyBGHMLMJEELZDDJ-UHFFFAOYSA-N
XLogP5.34
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.45
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenylbutanamide
CID 5174437
(2S)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenoxybutanamide
CID 40538671
2-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide
CID 896069
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-ethylbutanamide
CID 112794584
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-ethylbutanamide
CID 39072128
2-chloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 3513866
1-N,4-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 5130675
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)octadecanamide
CID 108733431
1-ethyl-3-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiourea
CID 108781601
2-ethyl-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]butanamide
CID 4166054
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)naphthalene-2-carboxamide
CID 7917223
butyl N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamate
CID 108733444

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 2-ethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)butanamide (CID 110441776) is 2-ethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 2-ethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 2-ethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)butanamide is CCC(CC)C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1.
What is the InChIKey of 2-ethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)butanamide?
The InChIKey is BGHMLMJEELZDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-3-13(4-2)18(22)21-19-20-17(12-23-19)16-10-9-14-7-5-6-8-15(14)11-16/h5-13H,3-4H2,1-2H3,(H,20,21,22).
What are the key properties of 2-ethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)butanamide?
2-ethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)butanamide has a molecular weight of 324.45 g/mol, XLogP of 5.34, 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-naphthalen-2-yl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 110441776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).