4,5-dimethyl-N-(trideuteriomethyl)-1,3-thiazole-2-carboxamide

C7H10N2OS — CID 176866006

IUPAC4,5-dimethyl-N-(trideuteriomethyl)-1,3-thiazole-2-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nc(C)c(C)s1
InChIInChI=1S/C7H10N2OS/c1-4-5(2)11-7(9-4)6(10)8-3/h1-3H3,(H,8,10)/i3D3
InChIKeyCDKPWVXSGKZMLK-HPRDVNIFSA-N
MW173.26 g/mol
LogP1.12
Rot. Bonds2

About 4,5-dimethyl-N-(trideuteriomethyl)-1,3-thiazole-2-carboxamide

4,5-dimethyl-N-(trideuteriomethyl)-1,3-thiazole-2-carboxamide (PubChem CID 176866006) has the molecular formula C7H10N2OS and a molecular weight of 173.26 g/mol. Its IUPAC name is 4,5-dimethyl-N-(trideuteriomethyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-(trideuteriomethyl)-1,3-thiazole-2-carboxamide
PubChem CID176866006
Molecular FormulaC7H10N2OS
Molecular Weight173.26 g/mol
Exact Mass173.07
IUPAC Name4,5-dimethyl-N-(trideuteriomethyl)-1,3-thiazole-2-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nc(C)c(C)s1
InChIInChI=1S/C7H10N2OS/c1-4-5(2)11-7(9-4)6(10)8-3/h1-3H3,(H,8,10)/i3D3
InChIKeyCDKPWVXSGKZMLK-HPRDVNIFSA-N
XLogP1.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-(trideuteriomethyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 4,5-dimethyl-N-(trideuteriomethyl)-1,3-thiazole-2-carboxamide (CID 176866006) is 4,5-dimethyl-N-(trideuteriomethyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-(trideuteriomethyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-(trideuteriomethyl)-1,3-thiazole-2-carboxamide is [2H]C([2H])([2H])NC(=O)c1nc(C)c(C)s1.
What is the InChIKey of 4,5-dimethyl-N-(trideuteriomethyl)-1,3-thiazole-2-carboxamide?
The InChIKey is CDKPWVXSGKZMLK-HPRDVNIFSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-4-5(2)11-7(9-4)6(10)8-3/h1-3H3,(H,8,10)/i3D3.
What are the key properties of 4,5-dimethyl-N-(trideuteriomethyl)-1,3-thiazole-2-carboxamide?
4,5-dimethyl-N-(trideuteriomethyl)-1,3-thiazole-2-carboxamide has a molecular weight of 173.26 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-(trideuteriomethyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 176866006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).