N-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)acetamide

C7H11N2OS+ — CID 2326483

IUPACN-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)acetamide
SMILESCC(=O)Nc1scc(C)[n+]1C
InChIInChI=1S/C7H10N2OS/c1-5-4-11-7(9(5)3)8-6(2)10/h4H,1-3H3/p+1
InChIKeyRUKRTDIRMBFTLT-UHFFFAOYSA-O
MW171.24 g/mol
LogP0.84
Rot. Bonds1

About N-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)acetamide

N-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)acetamide (PubChem CID 2326483) has the molecular formula C7H11N2OS+ and a molecular weight of 171.24 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)acetamide
PubChem CID2326483
Molecular FormulaC7H11N2OS+
Molecular Weight171.24 g/mol
Exact Mass171.06
IUPAC NameN-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)acetamide
SMILESCC(=O)Nc1scc(C)[n+]1C
InChIInChI=1S/C7H10N2OS/c1-5-4-11-7(9(5)3)8-6(2)10/h4H,1-3H3/p+1
InChIKeyRUKRTDIRMBFTLT-UHFFFAOYSA-O
XLogP0.84
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.84
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 N-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)acetamide?
The IUPAC name of N-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)acetamide (CID 2326483) is N-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)acetamide.
What is the SMILES notation for N-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)acetamide?
The canonical SMILES for N-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)acetamide is CC(=O)Nc1scc(C)[n+]1C.
What is the InChIKey of N-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)acetamide?
The InChIKey is RUKRTDIRMBFTLT-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H10N2OS/c1-5-4-11-7(9(5)3)8-6(2)10/h4H,1-3H3/p+1.
What are the key properties of N-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)acetamide?
N-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)acetamide has a molecular weight of 171.24 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)acetamide is sourced from PubChem (CID 2326483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).