N-methoxy-N-methyl-1,3-thiazole-5-carboxamide

C6H8N2O2S — CID 25307138

IUPACN-methoxy-N-methyl-1,3-thiazole-5-carboxamide
SMILESCON(C)C(=O)c1cncs1
InChIInChI=1S/C6H8N2O2S/c1-8(10-2)6(9)5-3-7-4-11-5/h3-4H,1-2H3
InChIKeyOHCWGRKUQDBZNM-UHFFFAOYSA-N
MW172.21 g/mol
LogP0.78
Rot. Bonds2

About N-methoxy-N-methyl-1,3-thiazole-5-carboxamide

N-methoxy-N-methyl-1,3-thiazole-5-carboxamide (PubChem CID 25307138) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is N-methoxy-N-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-1,3-thiazole-5-carboxamide
PubChem CID25307138
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC NameN-methoxy-N-methyl-1,3-thiazole-5-carboxamide
SMILESCON(C)C(=O)c1cncs1
InChIInChI=1S/C6H8N2O2S/c1-8(10-2)6(9)5-3-7-4-11-5/h3-4H,1-2H3
InChIKeyOHCWGRKUQDBZNM-UHFFFAOYSA-N
XLogP0.78
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 50.78
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 N-methoxy-N-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-methoxy-N-methyl-1,3-thiazole-5-carboxamide (CID 25307138) is N-methoxy-N-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-methoxy-N-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-methoxy-N-methyl-1,3-thiazole-5-carboxamide is CON(C)C(=O)c1cncs1.
What is the InChIKey of N-methoxy-N-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is OHCWGRKUQDBZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c1-8(10-2)6(9)5-3-7-4-11-5/h3-4H,1-2H3.
What are the key properties of N-methoxy-N-methyl-1,3-thiazole-5-carboxamide?
N-methoxy-N-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 172.21 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 25307138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).