N-methoxy-2-methylsulfanyl-1,3-thiazole-4-carboxamide

C6H8N2O2S2 — CID 89470086

IUPACN-methoxy-2-methylsulfanyl-1,3-thiazole-4-carboxamide
SMILESCONC(=O)c1csc(SC)n1
InChIInChI=1S/C6H8N2O2S2/c1-10-8-5(9)4-3-12-6(7-4)11-2/h3H,1-2H3,(H,8,9)
InChIKeyZLCSKHSAYOGWKI-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.16
Rot. Bonds3

About N-methoxy-2-methylsulfanyl-1,3-thiazole-4-carboxamide

N-methoxy-2-methylsulfanyl-1,3-thiazole-4-carboxamide (PubChem CID 89470086) has the molecular formula C6H8N2O2S2 and a molecular weight of 204.28 g/mol. Its IUPAC name is N-methoxy-2-methylsulfanyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-methoxy-2-methylsulfanyl-1,3-thiazole-4-carboxamide
PubChem CID89470086
Molecular FormulaC6H8N2O2S2
Molecular Weight204.28 g/mol
Exact Mass204.00
IUPAC NameN-methoxy-2-methylsulfanyl-1,3-thiazole-4-carboxamide
SMILESCONC(=O)c1csc(SC)n1
InChIInChI=1S/C6H8N2O2S2/c1-10-8-5(9)4-3-12-6(7-4)11-2/h3H,1-2H3,(H,8,9)
InChIKeyZLCSKHSAYOGWKI-UHFFFAOYSA-N
XLogP1.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methylsulfanyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 118787881
2-[(4-fluorophenoxy)methyl]-N-methoxy-1,3-thiazole-4-carboxamide
CID 33104782
2-methylsulfanyl-N-[(1S)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 136883270
N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide
CID 125444590
4-amino-N-methoxypyridine-2-carboxamide
CID 170972703
4-chloro-N-methoxy-1,3-thiazole-2-carboxamide
CID 130831213
2-methylsulfanyl-N-[(2R)-1-pyridin-3-ylpropan-2-yl]-1,3-thiazole-4-carboxamide
CID 99949923
N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide
CID 118770027
N-methoxy-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 60716850
1-(2-methylsulfanyl-1,3-thiazol-4-yl)propan-2-one
CID 83876844
methyl 2-methyl-1,3-thiazole-4-carboxylate
CID 14812829
2-methylsulfanyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 118770644

Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-methylsulfanyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-methoxy-2-methylsulfanyl-1,3-thiazole-4-carboxamide (CID 89470086) is N-methoxy-2-methylsulfanyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-methoxy-2-methylsulfanyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-methoxy-2-methylsulfanyl-1,3-thiazole-4-carboxamide is CONC(=O)c1csc(SC)n1.
What is the InChIKey of N-methoxy-2-methylsulfanyl-1,3-thiazole-4-carboxamide?
The InChIKey is ZLCSKHSAYOGWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S2/c1-10-8-5(9)4-3-12-6(7-4)11-2/h3H,1-2H3,(H,8,9).
What are the key properties of N-methoxy-2-methylsulfanyl-1,3-thiazole-4-carboxamide?
N-methoxy-2-methylsulfanyl-1,3-thiazole-4-carboxamide has a molecular weight of 204.28 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-methylsulfanyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 89470086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).