2,4-dimethyl-1,3-thiazole;1H-tetrazol-1-ium;bromide

C6H10BrN5S — CID 19827563

IUPAC2,4-dimethyl-1,3-thiazole;1H-tetrazol-1-ium;bromide
SMILESC1=NN=N[NH2+]1.Cc1csc(C)n1.[Br-]
InChIInChI=1S/C5H7NS.CH2N4.BrH/c1-4-3-7-5(2)6-4;1-2-4-5-3-1;/h3H,1-2H3;1H,(H,2,3,4,5);1H
InChIKeyPURKVOMWUCMAPM-UHFFFAOYSA-N
MW264.15 g/mol
LogP-2.36
Rot. Bonds

About 2,4-dimethyl-1,3-thiazole;1H-tetrazol-1-ium;bromide

2,4-dimethyl-1,3-thiazole;1H-tetrazol-1-ium;bromide (PubChem CID 19827563) has the molecular formula C6H10BrN5S and a molecular weight of 264.15 g/mol. Its IUPAC name is 2,4-dimethyl-1,3-thiazole;1H-tetrazol-1-ium;bromide.

Molecular Properties

Compound Name2,4-dimethyl-1,3-thiazole;1H-tetrazol-1-ium;bromide
PubChem CID19827563
Molecular FormulaC6H10BrN5S
Molecular Weight264.15 g/mol
Exact Mass262.98
IUPAC Name2,4-dimethyl-1,3-thiazole;1H-tetrazol-1-ium;bromide
SMILESC1=NN=N[NH2+]1.Cc1csc(C)n1.[Br-]
InChIInChI=1S/C5H7NS.CH2N4.BrH/c1-4-3-7-5(2)6-4;1-2-4-5-3-1;/h3H,1-2H3;1H,(H,2,3,4,5);1H
InChIKeyPURKVOMWUCMAPM-UHFFFAOYSA-N
XLogP-2.36
TPSA66.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 5-2.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1,3-thiazole;1H-tetrazol-1-ium;bromide?
The IUPAC name of 2,4-dimethyl-1,3-thiazole;1H-tetrazol-1-ium;bromide (CID 19827563) is 2,4-dimethyl-1,3-thiazole;1H-tetrazol-1-ium;bromide.
What is the SMILES notation for 2,4-dimethyl-1,3-thiazole;1H-tetrazol-1-ium;bromide?
The canonical SMILES for 2,4-dimethyl-1,3-thiazole;1H-tetrazol-1-ium;bromide is C1=NN=N[NH2+]1.Cc1csc(C)n1.[Br-].
What is the InChIKey of 2,4-dimethyl-1,3-thiazole;1H-tetrazol-1-ium;bromide?
The InChIKey is PURKVOMWUCMAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS.CH2N4.BrH/c1-4-3-7-5(2)6-4;1-2-4-5-3-1;/h3H,1-2H3;1H,(H,2,3,4,5);1H.
What are the key properties of 2,4-dimethyl-1,3-thiazole;1H-tetrazol-1-ium;bromide?
2,4-dimethyl-1,3-thiazole;1H-tetrazol-1-ium;bromide has a molecular weight of 264.15 g/mol, XLogP of -2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1,3-thiazole;1H-tetrazol-1-ium;bromide is sourced from PubChem (CID 19827563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).