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

C5H6N2OS2 — CID 67482248

IUPACN-methyl-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1csc(=S)[nH]1
InChIInChI=1S/C5H6N2OS2/c1-6-4(8)3-2-10-5(9)7-3/h2H,1H3,(H,6,8)(H,7,9)
InChIKeyQFOSBMKKOANTKS-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.17
Rot. Bonds1

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

N-methyl-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide (PubChem CID 67482248) has the molecular formula C5H6N2OS2 and a molecular weight of 174.25 g/mol. Its IUPAC name is N-methyl-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide
PubChem CID67482248
Molecular FormulaC5H6N2OS2
Molecular Weight174.25 g/mol
Exact Mass173.99
IUPAC NameN-methyl-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1csc(=S)[nH]1
InChIInChI=1S/C5H6N2OS2/c1-6-4(8)3-2-10-5(9)7-3/h2H,1H3,(H,6,8)(H,7,9)
InChIKeyQFOSBMKKOANTKS-UHFFFAOYSA-N
XLogP1.17
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.17
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-methyl-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide?
The IUPAC name of N-methyl-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide (CID 67482248) is N-methyl-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-methyl-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-methyl-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide is CNC(=O)c1csc(=S)[nH]1.
What is the InChIKey of N-methyl-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide?
The InChIKey is QFOSBMKKOANTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2OS2/c1-6-4(8)3-2-10-5(9)7-3/h2H,1H3,(H,6,8)(H,7,9).
What are the key properties of N-methyl-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide?
N-methyl-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide has a molecular weight of 174.25 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 67482248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).