N-(2-carbamothioyl-1,3-thiazol-5-yl)acetamide

C6H7N3OS2 — CID 119083110

IUPACN-(2-carbamothioyl-1,3-thiazol-5-yl)acetamide
SMILESCC(=O)Nc1cnc(C(N)=S)s1
InChIInChI=1S/C6H7N3OS2/c1-3(10)9-4-2-8-6(12-4)5(7)11/h2H,1H3,(H2,7,11)(H,9,10)
InChIKeyZVSBJFPXZKAXHZ-UHFFFAOYSA-N
MW201.28 g/mol
LogP0.74
Rot. Bonds2

About N-(2-carbamothioyl-1,3-thiazol-5-yl)acetamide

N-(2-carbamothioyl-1,3-thiazol-5-yl)acetamide (PubChem CID 119083110) has the molecular formula C6H7N3OS2 and a molecular weight of 201.28 g/mol. Its IUPAC name is N-(2-carbamothioyl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-carbamothioyl-1,3-thiazol-5-yl)acetamide
PubChem CID119083110
Molecular FormulaC6H7N3OS2
Molecular Weight201.28 g/mol
Exact Mass201.00
IUPAC NameN-(2-carbamothioyl-1,3-thiazol-5-yl)acetamide
SMILESCC(=O)Nc1cnc(C(N)=S)s1
InChIInChI=1S/C6H7N3OS2/c1-3(10)9-4-2-8-6(12-4)5(7)11/h2H,1H3,(H2,7,11)(H,9,10)
InChIKeyZVSBJFPXZKAXHZ-UHFFFAOYSA-N
XLogP0.74
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioyl-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-(2-carbamothioyl-1,3-thiazol-5-yl)acetamide (CID 119083110) is N-(2-carbamothioyl-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-(2-carbamothioyl-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-(2-carbamothioyl-1,3-thiazol-5-yl)acetamide is CC(=O)Nc1cnc(C(N)=S)s1.
What is the InChIKey of N-(2-carbamothioyl-1,3-thiazol-5-yl)acetamide?
The InChIKey is ZVSBJFPXZKAXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3OS2/c1-3(10)9-4-2-8-6(12-4)5(7)11/h2H,1H3,(H2,7,11)(H,9,10).
What are the key properties of N-(2-carbamothioyl-1,3-thiazol-5-yl)acetamide?
N-(2-carbamothioyl-1,3-thiazol-5-yl)acetamide has a molecular weight of 201.28 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioyl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 119083110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).