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

C10H11N3O3S3 — CID 106270937

IUPAC5-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]thiophene-2-carbothioamide
SMILESCc1cc(CNS(=O)(=O)c2ccc(C(N)=S)s2)on1
InChIInChI=1S/C10H11N3O3S3/c1-6-4-7(16-13-6)5-12-19(14,15)9-3-2-8(18-9)10(11)17/h2-4,12H,5H2,1H3,(H2,11,17)
InChIKeyKERZWIXFZCBHMV-UHFFFAOYSA-N
MW317.42 g/mol
LogP1.16
Rot. Bonds5

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

5-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]thiophene-2-carbothioamide (PubChem CID 106270937) has the molecular formula C10H11N3O3S3 and a molecular weight of 317.42 g/mol. Its IUPAC name is 5-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]thiophene-2-carbothioamide.

Molecular Properties

Compound Name5-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]thiophene-2-carbothioamide
PubChem CID106270937
Molecular FormulaC10H11N3O3S3
Molecular Weight317.42 g/mol
Exact Mass317.00
IUPAC Name5-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]thiophene-2-carbothioamide
SMILESCc1cc(CNS(=O)(=O)c2ccc(C(N)=S)s2)on1
InChIInChI=1S/C10H11N3O3S3/c1-6-4-7(16-13-6)5-12-19(14,15)9-3-2-8(18-9)10(11)17/h2-4,12H,5H2,1H3,(H2,11,17)
InChIKeyKERZWIXFZCBHMV-UHFFFAOYSA-N
XLogP1.16
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 51.16
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-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]pyridine-2-carbothioamide
CID 114614370
5-[(2-fluorophenyl)methylsulfamoyl]thiophene-2-carbothioamide
CID 106270100
5-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carbothioamide
CID 106270297
5-(6-methoxy-3-pyridinyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thiophene-2-sulfonamide
CID 171908747
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-methylthiophene-2-sulfonamide
CID 73440737
ethyl 3-[(5-carbamothioylthiophen-2-yl)sulfonylamino]propanoate
CID 106270997
5-ethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 90537815
5-[(2-methyl-2-methylsulfanylpropyl)sulfamoyl]thiophene-2-carbothioamide
CID 114166719
methyl 3-[(5-carbamothioylthiophen-2-yl)sulfonylamino]propanoate
CID 114166602
5-[(5-carbamothioylthiophen-2-yl)sulfonylamino]pentanamide
CID 106272188
5-[(3-methylcyclopentyl)methylsulfamoyl]thiophene-2-carbothioamide
CID 106272019
ethyl 4-[(5-carbamothioylthiophen-2-yl)sulfonylamino]butanoate
CID 106271350

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]thiophene-2-carbothioamide?
The IUPAC name of 5-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]thiophene-2-carbothioamide (CID 106270937) is 5-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]thiophene-2-carbothioamide.
What is the SMILES notation for 5-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]thiophene-2-carbothioamide?
The canonical SMILES for 5-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]thiophene-2-carbothioamide is Cc1cc(CNS(=O)(=O)c2ccc(C(N)=S)s2)on1.
What is the InChIKey of 5-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]thiophene-2-carbothioamide?
The InChIKey is KERZWIXFZCBHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S3/c1-6-4-7(16-13-6)5-12-19(14,15)9-3-2-8(18-9)10(11)17/h2-4,12H,5H2,1H3,(H2,11,17).
What are the key properties of 5-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]thiophene-2-carbothioamide?
5-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]thiophene-2-carbothioamide has a molecular weight of 317.42 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]thiophene-2-carbothioamide is sourced from PubChem (CID 106270937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).