2-ethyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]butanamide

C14H18N2OS2 — CID 112771343

IUPAC2-ethyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]butanamide
SMILESCCC(CC)C(=O)Nc1nc(-c2ccc(C)s2)cs1
InChIInChI=1S/C14H18N2OS2/c1-4-10(5-2)13(17)16-14-15-11(8-18-14)12-7-6-9(3)19-12/h6-8,10H,4-5H2,1-3H3,(H,15,16,17)
InChIKeyCELGYXRIXTUFBB-UHFFFAOYSA-N
MW294.44 g/mol
LogP4.55
Rot. Bonds5

About 2-ethyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]butanamide

2-ethyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]butanamide (PubChem CID 112771343) has the molecular formula C14H18N2OS2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-ethyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]butanamide
PubChem CID112771343
Molecular FormulaC14H18N2OS2
Molecular Weight294.44 g/mol
Exact Mass294.09
IUPAC Name2-ethyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]butanamide
SMILESCCC(CC)C(=O)Nc1nc(-c2ccc(C)s2)cs1
InChIInChI=1S/C14H18N2OS2/c1-4-10(5-2)13(17)16-14-15-11(8-18-14)12-7-6-9(3)19-12/h6-8,10H,4-5H2,1-3H3,(H,15,16,17)
InChIKeyCELGYXRIXTUFBB-UHFFFAOYSA-N
XLogP4.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 119271226
2-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide
CID 896069
2-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 51328878
2,2-dimethyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 112771339
2-ethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)butanamide
CID 110441776
2-ethyl-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]butanamide
CID 4166054
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-ethylbutanamide
CID 39072128
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-ethylbutanamide
CID 112794584
4-ethoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 42008522
2-(4-acetamidophenyl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 42008793
2-methyl-N-[3-methyl-1-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl]benzamide
CID 112771358
7-amino-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]heptanamide;hydrochloride
CID 119689440

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]butanamide?
The IUPAC name of 2-ethyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]butanamide (CID 112771343) is 2-ethyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for 2-ethyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for 2-ethyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]butanamide is CCC(CC)C(=O)Nc1nc(-c2ccc(C)s2)cs1.
What is the InChIKey of 2-ethyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]butanamide?
The InChIKey is CELGYXRIXTUFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS2/c1-4-10(5-2)13(17)16-14-15-11(8-18-14)12-7-6-9(3)19-12/h6-8,10H,4-5H2,1-3H3,(H,15,16,17).
What are the key properties of 2-ethyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]butanamide?
2-ethyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 294.44 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 112771343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).