2-(1,5-dimethyltetrazol-1-ium-2-yl)-4,5-dimethyl-1,3-thiazole

C8H12N5S+ — CID 129308066

IUPAC2-(1,5-dimethyltetrazol-1-ium-2-yl)-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(-n2nnc(C)[n+]2C)sc1C
InChIInChI=1S/C8H12N5S/c1-5-6(2)14-8(9-5)13-11-10-7(3)12(13)4/h1-4H3/q+1
InChIKeyGVTRKJOJZVEEJJ-UHFFFAOYSA-N
MW210.29 g/mol
LogP0.47
Rot. Bonds1

About 2-(1,5-dimethyltetrazol-1-ium-2-yl)-4,5-dimethyl-1,3-thiazole

2-(1,5-dimethyltetrazol-1-ium-2-yl)-4,5-dimethyl-1,3-thiazole (PubChem CID 129308066) has the molecular formula C8H12N5S+ and a molecular weight of 210.29 g/mol. Its IUPAC name is 2-(1,5-dimethyltetrazol-1-ium-2-yl)-4,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name2-(1,5-dimethyltetrazol-1-ium-2-yl)-4,5-dimethyl-1,3-thiazole
PubChem CID129308066
Molecular FormulaC8H12N5S+
Molecular Weight210.29 g/mol
Exact Mass210.08
IUPAC Name2-(1,5-dimethyltetrazol-1-ium-2-yl)-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(-n2nnc(C)[n+]2C)sc1C
InChIInChI=1S/C8H12N5S/c1-5-6(2)14-8(9-5)13-11-10-7(3)12(13)4/h1-4H3/q+1
InChIKeyGVTRKJOJZVEEJJ-UHFFFAOYSA-N
XLogP0.47
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.29
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(1,5-dimethyltetrazol-1-ium-2-yl)-4,5-dimethyl-1,3-thiazole?
The IUPAC name of 2-(1,5-dimethyltetrazol-1-ium-2-yl)-4,5-dimethyl-1,3-thiazole (CID 129308066) is 2-(1,5-dimethyltetrazol-1-ium-2-yl)-4,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 2-(1,5-dimethyltetrazol-1-ium-2-yl)-4,5-dimethyl-1,3-thiazole?
The canonical SMILES for 2-(1,5-dimethyltetrazol-1-ium-2-yl)-4,5-dimethyl-1,3-thiazole is Cc1nc(-n2nnc(C)[n+]2C)sc1C.
What is the InChIKey of 2-(1,5-dimethyltetrazol-1-ium-2-yl)-4,5-dimethyl-1,3-thiazole?
The InChIKey is GVTRKJOJZVEEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N5S/c1-5-6(2)14-8(9-5)13-11-10-7(3)12(13)4/h1-4H3/q+1.
What are the key properties of 2-(1,5-dimethyltetrazol-1-ium-2-yl)-4,5-dimethyl-1,3-thiazole?
2-(1,5-dimethyltetrazol-1-ium-2-yl)-4,5-dimethyl-1,3-thiazole has a molecular weight of 210.29 g/mol, XLogP of 0.47, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethyltetrazol-1-ium-2-yl)-4,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 129308066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).