5-tert-butyl-N-methoxy-N-methyl-1,3-thiazole-2-carboxamide

C10H16N2O2S — CID 86720745

IUPAC5-tert-butyl-N-methoxy-N-methyl-1,3-thiazole-2-carboxamide
SMILESCON(C)C(=O)c1ncc(C(C)(C)C)s1
InChIInChI=1S/C10H16N2O2S/c1-10(2,3)7-6-11-8(15-7)9(13)12(4)14-5/h6H,1-5H3
InChIKeyJWAIQSXGRWUPLJ-UHFFFAOYSA-N
MW228.32 g/mol
LogP2.07
Rot. Bonds2

About 5-tert-butyl-N-methoxy-N-methyl-1,3-thiazole-2-carboxamide

5-tert-butyl-N-methoxy-N-methyl-1,3-thiazole-2-carboxamide (PubChem CID 86720745) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 5-tert-butyl-N-methoxy-N-methyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-methoxy-N-methyl-1,3-thiazole-2-carboxamide
PubChem CID86720745
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name5-tert-butyl-N-methoxy-N-methyl-1,3-thiazole-2-carboxamide
SMILESCON(C)C(=O)c1ncc(C(C)(C)C)s1
InChIInChI=1S/C10H16N2O2S/c1-10(2,3)7-6-11-8(15-7)9(13)12(4)14-5/h6H,1-5H3
InChIKeyJWAIQSXGRWUPLJ-UHFFFAOYSA-N
XLogP2.07
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 52.07
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 5-tert-butyl-N-methoxy-N-methyl-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-tert-butyl-N-methoxy-N-methyl-1,3-thiazole-2-carboxamide (CID 86720745) is 5-tert-butyl-N-methoxy-N-methyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-methoxy-N-methyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-tert-butyl-N-methoxy-N-methyl-1,3-thiazole-2-carboxamide is CON(C)C(=O)c1ncc(C(C)(C)C)s1.
What is the InChIKey of 5-tert-butyl-N-methoxy-N-methyl-1,3-thiazole-2-carboxamide?
The InChIKey is JWAIQSXGRWUPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-10(2,3)7-6-11-8(15-7)9(13)12(4)14-5/h6H,1-5H3.
What are the key properties of 5-tert-butyl-N-methoxy-N-methyl-1,3-thiazole-2-carboxamide?
5-tert-butyl-N-methoxy-N-methyl-1,3-thiazole-2-carboxamide has a molecular weight of 228.32 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-methoxy-N-methyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 86720745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).