5-[1-(5-methyl-1,3-oxazol-2-yl)ethylsulfamoyl]thiophene-2-carbothioamide

C11H13N3O3S3 — CID 106388542

IUPAC5-[1-(5-methyl-1,3-oxazol-2-yl)ethylsulfamoyl]thiophene-2-carbothioamide
SMILESCc1cnc(C(C)NS(=O)(=O)c2ccc(C(N)=S)s2)o1
InChIInChI=1S/C11H13N3O3S3/c1-6-5-13-11(17-6)7(2)14-20(15,16)9-4-3-8(19-9)10(12)18/h3-5,7,14H,1-2H3,(H2,12,18)
InChIKeyWJAYZIXXUVCVDY-UHFFFAOYSA-N
MW331.44 g/mol
LogP1.72
Rot. Bonds5

About 5-[1-(5-methyl-1,3-oxazol-2-yl)ethylsulfamoyl]thiophene-2-carbothioamide

5-[1-(5-methyl-1,3-oxazol-2-yl)ethylsulfamoyl]thiophene-2-carbothioamide (PubChem CID 106388542) has the molecular formula C11H13N3O3S3 and a molecular weight of 331.44 g/mol. Its IUPAC name is 5-[1-(5-methyl-1,3-oxazol-2-yl)ethylsulfamoyl]thiophene-2-carbothioamide.

Molecular Properties

Compound Name5-[1-(5-methyl-1,3-oxazol-2-yl)ethylsulfamoyl]thiophene-2-carbothioamide
PubChem CID106388542
Molecular FormulaC11H13N3O3S3
Molecular Weight331.44 g/mol
Exact Mass331.01
IUPAC Name5-[1-(5-methyl-1,3-oxazol-2-yl)ethylsulfamoyl]thiophene-2-carbothioamide
SMILESCc1cnc(C(C)NS(=O)(=O)c2ccc(C(N)=S)s2)o1
InChIInChI=1S/C11H13N3O3S3/c1-6-5-13-11(17-6)7(2)14-20(15,16)9-4-3-8(19-9)10(12)18/h3-5,7,14H,1-2H3,(H2,12,18)
InChIKeyWJAYZIXXUVCVDY-UHFFFAOYSA-N
XLogP1.72
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-2-sulfonamide
CID 106388977
5-[1-(1H-imidazol-2-yl)ethylsulfamoyl]thiophene-2-carbothioamide
CID 106271860
2-amino-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3-thiazole-5-sulfonamide
CID 106388982
5-[1-(dimethylamino)propan-2-ylsulfamoyl]thiophene-2-carbothioamide
CID 114166702
2-amino-3,6-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 106387542
5-amino-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 106387556
3-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylidenepropanamide
CID 106388530
5-(1-methylsulfanylbutan-2-ylsulfamoyl)thiophene-2-carbothioamide
CID 106271839
2-(ethylaminomethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide
CID 106390208
5-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carbothioamide
CID 106270609
5-(aminomethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide
CID 106390197
5-amino-3-fluoro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 106387563

Frequently Asked Questions

What is the IUPAC name of 5-[1-(5-methyl-1,3-oxazol-2-yl)ethylsulfamoyl]thiophene-2-carbothioamide?
The IUPAC name of 5-[1-(5-methyl-1,3-oxazol-2-yl)ethylsulfamoyl]thiophene-2-carbothioamide (CID 106388542) is 5-[1-(5-methyl-1,3-oxazol-2-yl)ethylsulfamoyl]thiophene-2-carbothioamide.
What is the SMILES notation for 5-[1-(5-methyl-1,3-oxazol-2-yl)ethylsulfamoyl]thiophene-2-carbothioamide?
The canonical SMILES for 5-[1-(5-methyl-1,3-oxazol-2-yl)ethylsulfamoyl]thiophene-2-carbothioamide is Cc1cnc(C(C)NS(=O)(=O)c2ccc(C(N)=S)s2)o1.
What is the InChIKey of 5-[1-(5-methyl-1,3-oxazol-2-yl)ethylsulfamoyl]thiophene-2-carbothioamide?
The InChIKey is WJAYZIXXUVCVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S3/c1-6-5-13-11(17-6)7(2)14-20(15,16)9-4-3-8(19-9)10(12)18/h3-5,7,14H,1-2H3,(H2,12,18).
What are the key properties of 5-[1-(5-methyl-1,3-oxazol-2-yl)ethylsulfamoyl]thiophene-2-carbothioamide?
5-[1-(5-methyl-1,3-oxazol-2-yl)ethylsulfamoyl]thiophene-2-carbothioamide has a molecular weight of 331.44 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(5-methyl-1,3-oxazol-2-yl)ethylsulfamoyl]thiophene-2-carbothioamide is sourced from PubChem (CID 106388542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).