1-[3-methyl-5-(1-thiophen-2-ylbutylamino)-1,2-thiazol-4-yl]ethanone

C14H18N2OS2 — CID 79363665

IUPAC1-[3-methyl-5-(1-thiophen-2-ylbutylamino)-1,2-thiazol-4-yl]ethanone
SMILESCCCC(Nc1snc(C)c1C(C)=O)c1cccs1
InChIInChI=1S/C14H18N2OS2/c1-4-6-11(12-7-5-8-18-12)15-14-13(10(3)17)9(2)16-19-14/h5,7-8,11,15H,4,6H2,1-3H3
InChIKeyJMZIZOQLVDSDTD-UHFFFAOYSA-N
MW294.45 g/mol
LogP4.67
Rot. Bonds6

About 1-[3-methyl-5-(1-thiophen-2-ylbutylamino)-1,2-thiazol-4-yl]ethanone

1-[3-methyl-5-(1-thiophen-2-ylbutylamino)-1,2-thiazol-4-yl]ethanone (PubChem CID 79363665) has the molecular formula C14H18N2OS2 and a molecular weight of 294.45 g/mol. Its IUPAC name is 1-[3-methyl-5-(1-thiophen-2-ylbutylamino)-1,2-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[3-methyl-5-(1-thiophen-2-ylbutylamino)-1,2-thiazol-4-yl]ethanone
PubChem CID79363665
Molecular FormulaC14H18N2OS2
Molecular Weight294.45 g/mol
Exact Mass294.09
IUPAC Name1-[3-methyl-5-(1-thiophen-2-ylbutylamino)-1,2-thiazol-4-yl]ethanone
SMILESCCCC(Nc1snc(C)c1C(C)=O)c1cccs1
InChIInChI=1S/C14H18N2OS2/c1-4-6-11(12-7-5-8-18-12)15-14-13(10(3)17)9(2)16-19-14/h5,7-8,11,15H,4,6H2,1-3H3
InChIKeyJMZIZOQLVDSDTD-UHFFFAOYSA-N
XLogP4.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.45
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-5-(1-thiophen-2-ylbutylamino)-1,2-thiazole-4-carboxylic acid
CID 79402140
4-ethoxy-5-N-(1-thiophen-2-ylbutyl)-1,2-thiazole-3,5-diamine
CID 103360094
N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine
CID 131230047
3-ethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine
CID 65276998
3-propan-2-yl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine
CID 65276944
3-methyl-5-(1-phenylpropylamino)-1,2-thiazole-4-carboxylic acid
CID 79402765
3-methyl-2-(1-thiophen-2-ylbutylamino)benzoic acid
CID 107111959
6-methyl-N-(1-thiophen-2-ylbutyl)pyridin-2-amine
CID 54962999
3-methyl-2-(1-thiophen-2-ylbutylamino)butanoic acid
CID 103244536
2-methyl-4-(1-thiophen-2-ylbutylamino)benzoic acid
CID 81282435
2,2-difluoro-N-(1-thiophen-2-ylbutyl)acetamide
CID 103515707
3-oxo-3-(1-thiophen-2-ylbutylamino)propanoic acid
CID 62231148

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-5-(1-thiophen-2-ylbutylamino)-1,2-thiazol-4-yl]ethanone?
The IUPAC name of 1-[3-methyl-5-(1-thiophen-2-ylbutylamino)-1,2-thiazol-4-yl]ethanone (CID 79363665) is 1-[3-methyl-5-(1-thiophen-2-ylbutylamino)-1,2-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[3-methyl-5-(1-thiophen-2-ylbutylamino)-1,2-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[3-methyl-5-(1-thiophen-2-ylbutylamino)-1,2-thiazol-4-yl]ethanone is CCCC(Nc1snc(C)c1C(C)=O)c1cccs1.
What is the InChIKey of 1-[3-methyl-5-(1-thiophen-2-ylbutylamino)-1,2-thiazol-4-yl]ethanone?
The InChIKey is JMZIZOQLVDSDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS2/c1-4-6-11(12-7-5-8-18-12)15-14-13(10(3)17)9(2)16-19-14/h5,7-8,11,15H,4,6H2,1-3H3.
What are the key properties of 1-[3-methyl-5-(1-thiophen-2-ylbutylamino)-1,2-thiazol-4-yl]ethanone?
1-[3-methyl-5-(1-thiophen-2-ylbutylamino)-1,2-thiazol-4-yl]ethanone has a molecular weight of 294.45 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-5-(1-thiophen-2-ylbutylamino)-1,2-thiazol-4-yl]ethanone is sourced from PubChem (CID 79363665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).