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

C7H8N2OS2 — CID 18667987

IUPACN-(5-ethanethioyl-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)Nc1ncc(C(C)=S)s1
InChIInChI=1S/C7H8N2OS2/c1-4(11)6-3-8-7(12-6)9-5(2)10/h3H,1-2H3,(H,8,9,10)
InChIKeyOMESYZOSDFCMFD-UHFFFAOYSA-N
MW200.29 g/mol
LogP1.84
Rot. Bonds2

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

N-(5-ethanethioyl-1,3-thiazol-2-yl)acetamide (PubChem CID 18667987) has the molecular formula C7H8N2OS2 and a molecular weight of 200.29 g/mol. Its IUPAC name is N-(5-ethanethioyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-ethanethioyl-1,3-thiazol-2-yl)acetamide
PubChem CID18667987
Molecular FormulaC7H8N2OS2
Molecular Weight200.29 g/mol
Exact Mass200.01
IUPAC NameN-(5-ethanethioyl-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)Nc1ncc(C(C)=S)s1
InChIInChI=1S/C7H8N2OS2/c1-4(11)6-3-8-7(12-6)9-5(2)10/h3H,1-2H3,(H,8,9,10)
InChIKeyOMESYZOSDFCMFD-UHFFFAOYSA-N
XLogP1.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethanethioyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-(5-ethanethioyl-1,3-thiazol-2-yl)acetamide (CID 18667987) is N-(5-ethanethioyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-(5-ethanethioyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-(5-ethanethioyl-1,3-thiazol-2-yl)acetamide is CC(=O)Nc1ncc(C(C)=S)s1.
What is the InChIKey of N-(5-ethanethioyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is OMESYZOSDFCMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS2/c1-4(11)6-3-8-7(12-6)9-5(2)10/h3H,1-2H3,(H,8,9,10).
What are the key properties of N-(5-ethanethioyl-1,3-thiazol-2-yl)acetamide?
N-(5-ethanethioyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 200.29 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethanethioyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 18667987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).