2-(5-methyl-2H-tetrazol-3-ium-3-yl)-1,3-thiazole

C5H6N5S+ — CID 54395233

IUPAC2-(5-methyl-2H-tetrazol-3-ium-3-yl)-1,3-thiazole
SMILESCc1n[nH][n+](-c2nccs2)n1
InChIInChI=1S/C5H5N5S/c1-4-7-9-10(8-4)5-6-2-3-11-5/h2-3H,1H3/p+1
InChIKeyVJLXIHLTQPWVAP-UHFFFAOYSA-O
MW168.21 g/mol
LogP-0.15
Rot. Bonds1

About 2-(5-methyl-2H-tetrazol-3-ium-3-yl)-1,3-thiazole

2-(5-methyl-2H-tetrazol-3-ium-3-yl)-1,3-thiazole (PubChem CID 54395233) has the molecular formula C5H6N5S+ and a molecular weight of 168.21 g/mol. Its IUPAC name is 2-(5-methyl-2H-tetrazol-3-ium-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(5-methyl-2H-tetrazol-3-ium-3-yl)-1,3-thiazole
PubChem CID54395233
Molecular FormulaC5H6N5S+
Molecular Weight168.21 g/mol
Exact Mass168.03
IUPAC Name2-(5-methyl-2H-tetrazol-3-ium-3-yl)-1,3-thiazole
SMILESCc1n[nH][n+](-c2nccs2)n1
InChIInChI=1S/C5H5N5S/c1-4-7-9-10(8-4)5-6-2-3-11-5/h2-3H,1H3/p+1
InChIKeyVJLXIHLTQPWVAP-UHFFFAOYSA-O
XLogP-0.15
TPSA58.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-2H-tetrazol-3-ium-3-yl)-1,3-thiazole?
The IUPAC name of 2-(5-methyl-2H-tetrazol-3-ium-3-yl)-1,3-thiazole (CID 54395233) is 2-(5-methyl-2H-tetrazol-3-ium-3-yl)-1,3-thiazole.
What is the SMILES notation for 2-(5-methyl-2H-tetrazol-3-ium-3-yl)-1,3-thiazole?
The canonical SMILES for 2-(5-methyl-2H-tetrazol-3-ium-3-yl)-1,3-thiazole is Cc1n[nH][n+](-c2nccs2)n1.
What is the InChIKey of 2-(5-methyl-2H-tetrazol-3-ium-3-yl)-1,3-thiazole?
The InChIKey is VJLXIHLTQPWVAP-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H5N5S/c1-4-7-9-10(8-4)5-6-2-3-11-5/h2-3H,1H3/p+1.
What are the key properties of 2-(5-methyl-2H-tetrazol-3-ium-3-yl)-1,3-thiazole?
2-(5-methyl-2H-tetrazol-3-ium-3-yl)-1,3-thiazole has a molecular weight of 168.21 g/mol, XLogP of -0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2H-tetrazol-3-ium-3-yl)-1,3-thiazole is sourced from PubChem (CID 54395233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).