4-[1-(deuteriocarbonylamino)ethyl]-N-methyl-1,3-thiazole-2-carboxamide

C8H11N3O2S — CID 59955309

IUPAC4-[1-(deuteriocarbonylamino)ethyl]-N-methyl-1,3-thiazole-2-carboxamide
SMILES[2H]C(=O)NC(C)c1csc(C(=O)NC)n1
InChIInChI=1S/C8H11N3O2S/c1-5(10-4-12)6-3-14-8(11-6)7(13)9-2/h3-5H,1-2H3,(H,9,13)(H,10,12)/i4D
InChIKeyFPKJYDSSJPKPNA-QYKNYGDISA-N
MW214.27 g/mol
LogP0.31
Rot. Bonds3

About 4-[1-(deuteriocarbonylamino)ethyl]-N-methyl-1,3-thiazole-2-carboxamide

4-[1-(deuteriocarbonylamino)ethyl]-N-methyl-1,3-thiazole-2-carboxamide (PubChem CID 59955309) has the molecular formula C8H11N3O2S and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-[1-(deuteriocarbonylamino)ethyl]-N-methyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-[1-(deuteriocarbonylamino)ethyl]-N-methyl-1,3-thiazole-2-carboxamide
PubChem CID59955309
Molecular FormulaC8H11N3O2S
Molecular Weight214.27 g/mol
Exact Mass214.06
IUPAC Name4-[1-(deuteriocarbonylamino)ethyl]-N-methyl-1,3-thiazole-2-carboxamide
SMILES[2H]C(=O)NC(C)c1csc(C(=O)NC)n1
InChIInChI=1S/C8H11N3O2S/c1-5(10-4-12)6-3-14-8(11-6)7(13)9-2/h3-5H,1-2H3,(H,9,13)(H,10,12)/i4D
InChIKeyFPKJYDSSJPKPNA-QYKNYGDISA-N
XLogP0.31
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(deuteriocarbonylamino)ethyl]-N-methyl-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-[1-(deuteriocarbonylamino)ethyl]-N-methyl-1,3-thiazole-2-carboxamide (CID 59955309) is 4-[1-(deuteriocarbonylamino)ethyl]-N-methyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-[1-(deuteriocarbonylamino)ethyl]-N-methyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-[1-(deuteriocarbonylamino)ethyl]-N-methyl-1,3-thiazole-2-carboxamide is [2H]C(=O)NC(C)c1csc(C(=O)NC)n1.
What is the InChIKey of 4-[1-(deuteriocarbonylamino)ethyl]-N-methyl-1,3-thiazole-2-carboxamide?
The InChIKey is FPKJYDSSJPKPNA-QYKNYGDISA-N. The full InChI is InChI=1S/C8H11N3O2S/c1-5(10-4-12)6-3-14-8(11-6)7(13)9-2/h3-5H,1-2H3,(H,9,13)(H,10,12)/i4D.
What are the key properties of 4-[1-(deuteriocarbonylamino)ethyl]-N-methyl-1,3-thiazole-2-carboxamide?
4-[1-(deuteriocarbonylamino)ethyl]-N-methyl-1,3-thiazole-2-carboxamide has a molecular weight of 214.27 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(deuteriocarbonylamino)ethyl]-N-methyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 59955309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).