2-(5-methyl-1,3-thiazol-3-ium-3-yl)acetamide

C6H9N2OS+ — CID 18763784

IUPAC2-(5-methyl-1,3-thiazol-3-ium-3-yl)acetamide
SMILESCc1c[n+](CC(N)=O)cs1
InChIInChI=1S/C6H8N2OS/c1-5-2-8(4-10-5)3-6(7)9/h2,4H,3H2,1H3,(H-,7,9)/p+1
InChIKeyMHBWCDOHMQZDLJ-UHFFFAOYSA-O
MW157.22 g/mol
LogP-0.17
Rot. Bonds2

About 2-(5-methyl-1,3-thiazol-3-ium-3-yl)acetamide

2-(5-methyl-1,3-thiazol-3-ium-3-yl)acetamide (PubChem CID 18763784) has the molecular formula C6H9N2OS+ and a molecular weight of 157.22 g/mol. Its IUPAC name is 2-(5-methyl-1,3-thiazol-3-ium-3-yl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-1,3-thiazol-3-ium-3-yl)acetamide
PubChem CID18763784
Molecular FormulaC6H9N2OS+
Molecular Weight157.22 g/mol
Exact Mass157.04
IUPAC Name2-(5-methyl-1,3-thiazol-3-ium-3-yl)acetamide
SMILESCc1c[n+](CC(N)=O)cs1
InChIInChI=1S/C6H8N2OS/c1-5-2-8(4-10-5)3-6(7)9/h2,4H,3H2,1H3,(H-,7,9)/p+1
InChIKeyMHBWCDOHMQZDLJ-UHFFFAOYSA-O
XLogP-0.17
TPSA46.97 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.17
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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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,3-thiazol-3-ium-3-yl)acetamide?
The IUPAC name of 2-(5-methyl-1,3-thiazol-3-ium-3-yl)acetamide (CID 18763784) is 2-(5-methyl-1,3-thiazol-3-ium-3-yl)acetamide.
What is the SMILES notation for 2-(5-methyl-1,3-thiazol-3-ium-3-yl)acetamide?
The canonical SMILES for 2-(5-methyl-1,3-thiazol-3-ium-3-yl)acetamide is Cc1c[n+](CC(N)=O)cs1.
What is the InChIKey of 2-(5-methyl-1,3-thiazol-3-ium-3-yl)acetamide?
The InChIKey is MHBWCDOHMQZDLJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H8N2OS/c1-5-2-8(4-10-5)3-6(7)9/h2,4H,3H2,1H3,(H-,7,9)/p+1.
What are the key properties of 2-(5-methyl-1,3-thiazol-3-ium-3-yl)acetamide?
2-(5-methyl-1,3-thiazol-3-ium-3-yl)acetamide has a molecular weight of 157.22 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3-thiazol-3-ium-3-yl)acetamide is sourced from PubChem (CID 18763784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).