2-(1,3-thiazol-3-ium-3-yl)acetamide

C5H7N2OS+ — CID 18432216

IUPAC2-(1,3-thiazol-3-ium-3-yl)acetamide
SMILESNC(=O)C[n+]1ccsc1
InChIInChI=1S/C5H6N2OS/c6-5(8)3-7-1-2-9-4-7/h1-2,4H,3H2,(H-,6,8)/p+1
InChIKeyVKCGMHQLFDYRTB-UHFFFAOYSA-O
MW143.19 g/mol
LogP-0.48
Rot. Bonds2

About 2-(1,3-thiazol-3-ium-3-yl)acetamide

2-(1,3-thiazol-3-ium-3-yl)acetamide (PubChem CID 18432216) has the molecular formula C5H7N2OS+ and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-(1,3-thiazol-3-ium-3-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-thiazol-3-ium-3-yl)acetamide
PubChem CID18432216
Molecular FormulaC5H7N2OS+
Molecular Weight143.19 g/mol
Exact Mass143.03
IUPAC Name2-(1,3-thiazol-3-ium-3-yl)acetamide
SMILESNC(=O)C[n+]1ccsc1
InChIInChI=1S/C5H6N2OS/c6-5(8)3-7-1-2-9-4-7/h1-2,4H,3H2,(H-,6,8)/p+1
InChIKeyVKCGMHQLFDYRTB-UHFFFAOYSA-O
XLogP-0.48
TPSA46.97 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1,3-Thiazole-2-carboxamide
CID 17750911
N,N-Diethyl-2-thiazolecarboxamide
CID 110695970
5-Amino-1,3-thiazole-2-carboxamide
CID 14250933
Thiazolecarboxylic acid azide
CID 18771936
N-(thiazol-5-yl)acetamide
CID 19779166
Thiazole-2-carbohydrazide
CID 23424176
Bithiazolyl-4-one
CID 66974641
2-[(N-trifluoroacetylglycyl)amino]methylthiazole
CID 22916669
2-(N-methyl-N-trifluoroacetylaminomethylcarbonyl)aminomethylthiazole
CID 22916734
N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide
CID 83406108
N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide
CID 176758972
Thiazol-2-ylthiazolidin-4-one
CID 129761723

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-3-ium-3-yl)acetamide?
The IUPAC name of 2-(1,3-thiazol-3-ium-3-yl)acetamide (CID 18432216) is 2-(1,3-thiazol-3-ium-3-yl)acetamide.
What is the SMILES notation for 2-(1,3-thiazol-3-ium-3-yl)acetamide?
The canonical SMILES for 2-(1,3-thiazol-3-ium-3-yl)acetamide is NC(=O)C[n+]1ccsc1.
What is the InChIKey of 2-(1,3-thiazol-3-ium-3-yl)acetamide?
The InChIKey is VKCGMHQLFDYRTB-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H6N2OS/c6-5(8)3-7-1-2-9-4-7/h1-2,4H,3H2,(H-,6,8)/p+1.
What are the key properties of 2-(1,3-thiazol-3-ium-3-yl)acetamide?
2-(1,3-thiazol-3-ium-3-yl)acetamide has a molecular weight of 143.19 g/mol, XLogP of -0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-3-ium-3-yl)acetamide is sourced from PubChem (CID 18432216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).