N-ethyl-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide

C6H8N2OS2 — CID 67482344

IUPACN-ethyl-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)c1csc(=S)[nH]1
InChIInChI=1S/C6H8N2OS2/c1-2-7-5(9)4-3-11-6(10)8-4/h3H,2H2,1H3,(H,7,9)(H,8,10)
InChIKeyGNGDFSDNLFZSMA-UHFFFAOYSA-N
MW188.28 g/mol
LogP1.56
Rot. Bonds2

About N-ethyl-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide

N-ethyl-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide (PubChem CID 67482344) has the molecular formula C6H8N2OS2 and a molecular weight of 188.28 g/mol. Its IUPAC name is N-ethyl-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide
PubChem CID67482344
Molecular FormulaC6H8N2OS2
Molecular Weight188.28 g/mol
Exact Mass188.01
IUPAC NameN-ethyl-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)c1csc(=S)[nH]1
InChIInChI=1S/C6H8N2OS2/c1-2-7-5(9)4-3-11-6(10)8-4/h3H,2H2,1H3,(H,7,9)(H,8,10)
InChIKeyGNGDFSDNLFZSMA-UHFFFAOYSA-N
XLogP1.56
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.28
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-ethyl-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide?
The IUPAC name of N-ethyl-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide (CID 67482344) is N-ethyl-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-ethyl-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-ethyl-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide is CCNC(=O)c1csc(=S)[nH]1.
What is the InChIKey of N-ethyl-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide?
The InChIKey is GNGDFSDNLFZSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS2/c1-2-7-5(9)4-3-11-6(10)8-4/h3H,2H2,1H3,(H,7,9)(H,8,10).
What are the key properties of N-ethyl-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide?
N-ethyl-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide has a molecular weight of 188.28 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 67482344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).