N-[5-[dideuterio(hydroxy)methyl]-1,3-thiazol-2-yl]acetamide

C6H8N2O2S — CID 139490681

IUPACN-[5-[dideuterio(hydroxy)methyl]-1,3-thiazol-2-yl]acetamide
SMILES[2H]C([2H])(O)c1cnc(NC(C)=O)s1
InChIInChI=1S/C6H8N2O2S/c1-4(10)8-6-7-2-5(3-9)11-6/h2,9H,3H2,1H3,(H,7,8,10)/i3D2
InChIKeyJLUBQXZJDNTDRR-SMZGMGDZSA-N
MW174.22 g/mol
LogP0.59
Rot. Bonds2

About N-[5-[dideuterio(hydroxy)methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[dideuterio(hydroxy)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 139490681) has the molecular formula C6H8N2O2S and a molecular weight of 174.22 g/mol. Its IUPAC name is N-[5-[dideuterio(hydroxy)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[dideuterio(hydroxy)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID139490681
Molecular FormulaC6H8N2O2S
Molecular Weight174.22 g/mol
Exact Mass174.04
IUPAC NameN-[5-[dideuterio(hydroxy)methyl]-1,3-thiazol-2-yl]acetamide
SMILES[2H]C([2H])(O)c1cnc(NC(C)=O)s1
InChIInChI=1S/C6H8N2O2S/c1-4(10)8-6-7-2-5(3-9)11-6/h2,9H,3H2,1H3,(H,7,8,10)/i3D2
InChIKeyJLUBQXZJDNTDRR-SMZGMGDZSA-N
XLogP0.59
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[dideuterio(hydroxy)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[dideuterio(hydroxy)methyl]-1,3-thiazol-2-yl]acetamide (CID 139490681) is N-[5-[dideuterio(hydroxy)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[dideuterio(hydroxy)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[dideuterio(hydroxy)methyl]-1,3-thiazol-2-yl]acetamide is [2H]C([2H])(O)c1cnc(NC(C)=O)s1.
What is the InChIKey of N-[5-[dideuterio(hydroxy)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is JLUBQXZJDNTDRR-SMZGMGDZSA-N. The full InChI is InChI=1S/C6H8N2O2S/c1-4(10)8-6-7-2-5(3-9)11-6/h2,9H,3H2,1H3,(H,7,8,10)/i3D2.
What are the key properties of N-[5-[dideuterio(hydroxy)methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[dideuterio(hydroxy)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 174.22 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[dideuterio(hydroxy)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 139490681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).