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

C6H7N5S — CID 67983943

IUPAC4,5-dimethyl-2-(tetrazol-1-yl)-1,3-thiazole
SMILESCc1nc(-n2cnnn2)sc1C
InChIInChI=1S/C6H7N5S/c1-4-5(2)12-6(8-4)11-3-7-9-10-11/h3H,1-2H3
InChIKeyXRYUHSSYNQEHQZ-UHFFFAOYSA-N
MW181.22 g/mol
LogP0.74
Rot. Bonds1

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

4,5-dimethyl-2-(tetrazol-1-yl)-1,3-thiazole (PubChem CID 67983943) has the molecular formula C6H7N5S and a molecular weight of 181.22 g/mol. Its IUPAC name is 4,5-dimethyl-2-(tetrazol-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4,5-dimethyl-2-(tetrazol-1-yl)-1,3-thiazole
PubChem CID67983943
Molecular FormulaC6H7N5S
Molecular Weight181.22 g/mol
Exact Mass181.04
IUPAC Name4,5-dimethyl-2-(tetrazol-1-yl)-1,3-thiazole
SMILESCc1nc(-n2cnnn2)sc1C
InChIInChI=1S/C6H7N5S/c1-4-5(2)12-6(8-4)11-3-7-9-10-11/h3H,1-2H3
InChIKeyXRYUHSSYNQEHQZ-UHFFFAOYSA-N
XLogP0.74
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(tetrazol-1-yl)-1,3-thiazole?
The IUPAC name of 4,5-dimethyl-2-(tetrazol-1-yl)-1,3-thiazole (CID 67983943) is 4,5-dimethyl-2-(tetrazol-1-yl)-1,3-thiazole.
What is the SMILES notation for 4,5-dimethyl-2-(tetrazol-1-yl)-1,3-thiazole?
The canonical SMILES for 4,5-dimethyl-2-(tetrazol-1-yl)-1,3-thiazole is Cc1nc(-n2cnnn2)sc1C.
What is the InChIKey of 4,5-dimethyl-2-(tetrazol-1-yl)-1,3-thiazole?
The InChIKey is XRYUHSSYNQEHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5S/c1-4-5(2)12-6(8-4)11-3-7-9-10-11/h3H,1-2H3.
What are the key properties of 4,5-dimethyl-2-(tetrazol-1-yl)-1,3-thiazole?
4,5-dimethyl-2-(tetrazol-1-yl)-1,3-thiazole has a molecular weight of 181.22 g/mol, XLogP of 0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(tetrazol-1-yl)-1,3-thiazole is sourced from PubChem (CID 67983943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).