N-(5-methyl-1,2-oxazol-3-yl)-2-thiophen-2-ylsulfanylbutanamide

C12H14N2O2S2 — CID 23972928

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-thiophen-2-ylsulfanylbutanamide
SMILESCCC(Sc1cccs1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C12H14N2O2S2/c1-3-9(18-11-5-4-6-17-11)12(15)13-10-7-8(2)16-14-10/h4-7,9H,3H2,1-2H3,(H,13,14,15)
InChIKeyGYEBHPZKURASMV-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.55
Rot. Bonds5

About N-(5-methyl-1,2-oxazol-3-yl)-2-thiophen-2-ylsulfanylbutanamide

N-(5-methyl-1,2-oxazol-3-yl)-2-thiophen-2-ylsulfanylbutanamide (PubChem CID 23972928) has the molecular formula C12H14N2O2S2 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-thiophen-2-ylsulfanylbutanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-thiophen-2-ylsulfanylbutanamide
PubChem CID23972928
Molecular FormulaC12H14N2O2S2
Molecular Weight282.39 g/mol
Exact Mass282.05
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-thiophen-2-ylsulfanylbutanamide
SMILESCCC(Sc1cccs1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C12H14N2O2S2/c1-3-9(18-11-5-4-6-17-11)12(15)13-10-7-8(2)16-14-10/h4-7,9H,3H2,1-2H3,(H,13,14,15)
InChIKeyGYEBHPZKURASMV-UHFFFAOYSA-N
XLogP3.55
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 670281
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N-(5-methyl-1,2-oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
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N-(5-methylisoxazol-3-yl)-N'-thien-2-ylurea
CID 3239581
N-(5-methyl-3-isoxazolyl)-3-(2-thienyl)acrylamide
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CID 32921457
N-(5-methyl-1,2-oxazol-3-yl)thiophene-3-carboxamide
CID 31861264
N-(5-methyl-1,2-oxazol-3-yl)-N'-[(thiophen-3-yl)methyl]ethanediamide
CID 25868748
N-(5-methylisoxazol-3-yl)-2-((5-(3-(thiophen-2-yl)ureido)-1,3,4-thiadiazol-2-yl)thio)acetamide
CID 43990837
N-(5-methyl-1,2-oxazol-3-yl)-2-thiophen-3-ylacetamide
CID 32623951
N-(5-methyl-1,2-oxazol-3-yl)-2-thiophen-2-ylsulfinylacetamide
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2,2'-[1,2-ethanediylbis(thio)]bis[N-(5-methyl-3-isoxazolyl)acetamide]
CID 3147268

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-thiophen-2-ylsulfanylbutanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-thiophen-2-ylsulfanylbutanamide (CID 23972928) is N-(5-methyl-1,2-oxazol-3-yl)-2-thiophen-2-ylsulfanylbutanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-thiophen-2-ylsulfanylbutanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-thiophen-2-ylsulfanylbutanamide is CCC(Sc1cccs1)C(=O)Nc1cc(C)on1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-thiophen-2-ylsulfanylbutanamide?
The InChIKey is GYEBHPZKURASMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S2/c1-3-9(18-11-5-4-6-17-11)12(15)13-10-7-8(2)16-14-10/h4-7,9H,3H2,1-2H3,(H,13,14,15).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-thiophen-2-ylsulfanylbutanamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-thiophen-2-ylsulfanylbutanamide has a molecular weight of 282.39 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-thiophen-2-ylsulfanylbutanamide is sourced from PubChem (CID 23972928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).