4,5-dichloro-N-methoxy-N-methyl-1,2-thiazole-3-carboxamide

C6H6Cl2N2O2S — CID 59705066

IUPAC4,5-dichloro-N-methoxy-N-methyl-1,2-thiazole-3-carboxamide
SMILESCON(C)C(=O)c1nsc(Cl)c1Cl
InChIInChI=1S/C6H6Cl2N2O2S/c1-10(12-2)6(11)4-3(7)5(8)13-9-4/h1-2H3
InChIKeyQIDDDDYHDBJSOU-UHFFFAOYSA-N
MW241.10 g/mol
LogP2.08
Rot. Bonds2

About 4,5-dichloro-N-methoxy-N-methyl-1,2-thiazole-3-carboxamide

4,5-dichloro-N-methoxy-N-methyl-1,2-thiazole-3-carboxamide (PubChem CID 59705066) has the molecular formula C6H6Cl2N2O2S and a molecular weight of 241.10 g/mol. Its IUPAC name is 4,5-dichloro-N-methoxy-N-methyl-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-methoxy-N-methyl-1,2-thiazole-3-carboxamide
PubChem CID59705066
Molecular FormulaC6H6Cl2N2O2S
Molecular Weight241.10 g/mol
Exact Mass239.95
IUPAC Name4,5-dichloro-N-methoxy-N-methyl-1,2-thiazole-3-carboxamide
SMILESCON(C)C(=O)c1nsc(Cl)c1Cl
InChIInChI=1S/C6H6Cl2N2O2S/c1-10(12-2)6(11)4-3(7)5(8)13-9-4/h1-2H3
InChIKeyQIDDDDYHDBJSOU-UHFFFAOYSA-N
XLogP2.08
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.10
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-methoxy-N-methyl-1,2-thiazole-3-carboxamide?
The IUPAC name of 4,5-dichloro-N-methoxy-N-methyl-1,2-thiazole-3-carboxamide (CID 59705066) is 4,5-dichloro-N-methoxy-N-methyl-1,2-thiazole-3-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-methoxy-N-methyl-1,2-thiazole-3-carboxamide?
The canonical SMILES for 4,5-dichloro-N-methoxy-N-methyl-1,2-thiazole-3-carboxamide is CON(C)C(=O)c1nsc(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-N-methoxy-N-methyl-1,2-thiazole-3-carboxamide?
The InChIKey is QIDDDDYHDBJSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2O2S/c1-10(12-2)6(11)4-3(7)5(8)13-9-4/h1-2H3.
What are the key properties of 4,5-dichloro-N-methoxy-N-methyl-1,2-thiazole-3-carboxamide?
4,5-dichloro-N-methoxy-N-methyl-1,2-thiazole-3-carboxamide has a molecular weight of 241.10 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-methoxy-N-methyl-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 59705066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).