2-butylsulfanyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide

C15H20N2O2S2 — CID 30854296

IUPAC2-butylsulfanyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide
SMILESCCCCSCC(=O)NCc1ccc(-c2csc(C)n2)o1
InChIInChI=1S/C15H20N2O2S2/c1-3-4-7-20-10-15(18)16-8-12-5-6-14(19-12)13-9-21-11(2)17-13/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,16,18)
InChIKeyJQZMLAPWPDHFLI-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.86
Rot. Bonds8

About 2-butylsulfanyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide

2-butylsulfanyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide (PubChem CID 30854296) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-butylsulfanyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-butylsulfanyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide
PubChem CID30854296
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC Name2-butylsulfanyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide
SMILESCCCCSCC(=O)NCc1ccc(-c2csc(C)n2)o1
InChIInChI=1S/C15H20N2O2S2/c1-3-4-7-20-10-15(18)16-8-12-5-6-14(19-12)13-9-21-11(2)17-13/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,16,18)
InChIKeyJQZMLAPWPDHFLI-UHFFFAOYSA-N
XLogP3.86
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]propanamide
CID 24525146
N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 24525129
2-(3-fluorophenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide
CID 17398398
4-chloro-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]benzamide
CID 16571962
2-(3-methyl-4-oxophthalazin-1-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide
CID 24525079
2-butyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-1,3-dioxoisoindole-5-carboxamide
CID 24552864
N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 24525066
N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 24525155
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methylsulfanylacetamide
CID 51263114
2-[[(2-butylsulfanylacetyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381427
4-(difluoromethoxy)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]benzamide
CID 18205530
6-methoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]pyridine-3-carboxamide
CID 17469627

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide?
The IUPAC name of 2-butylsulfanyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide (CID 30854296) is 2-butylsulfanyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-butylsulfanyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide?
The canonical SMILES for 2-butylsulfanyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide is CCCCSCC(=O)NCc1ccc(-c2csc(C)n2)o1.
What is the InChIKey of 2-butylsulfanyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide?
The InChIKey is JQZMLAPWPDHFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-3-4-7-20-10-15(18)16-8-12-5-6-14(19-12)13-9-21-11(2)17-13/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,16,18).
What are the key properties of 2-butylsulfanyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide?
2-butylsulfanyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide has a molecular weight of 324.47 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide is sourced from PubChem (CID 30854296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).