1,5-dimethyltetrazole;2,4-dimethyl-1,3-thiazole

C8H13N5S — CID 175045394

IUPAC1,5-dimethyltetrazole;2,4-dimethyl-1,3-thiazole
SMILESCc1csc(C)n1.Cc1nnnn1C
InChIInChI=1S/C5H7NS.C3H6N4/c1-4-3-7-5(2)6-4;1-3-4-5-6-7(3)2/h3H,1-2H3;1-2H3
InChIKeyVRNVIJNMPBIZSV-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.28
Rot. Bonds

About 1,5-dimethyltetrazole;2,4-dimethyl-1,3-thiazole

1,5-dimethyltetrazole;2,4-dimethyl-1,3-thiazole (PubChem CID 175045394) has the molecular formula C8H13N5S and a molecular weight of 211.29 g/mol. Its IUPAC name is 1,5-dimethyltetrazole;2,4-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name1,5-dimethyltetrazole;2,4-dimethyl-1,3-thiazole
PubChem CID175045394
Molecular FormulaC8H13N5S
Molecular Weight211.29 g/mol
Exact Mass211.09
IUPAC Name1,5-dimethyltetrazole;2,4-dimethyl-1,3-thiazole
SMILESCc1csc(C)n1.Cc1nnnn1C
InChIInChI=1S/C5H7NS.C3H6N4/c1-4-3-7-5(2)6-4;1-3-4-5-6-7(3)2/h3H,1-2H3;1-2H3
InChIKeyVRNVIJNMPBIZSV-UHFFFAOYSA-N
XLogP1.28
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyltetrazole;2,4-dimethyl-1,3-thiazole?
The IUPAC name of 1,5-dimethyltetrazole;2,4-dimethyl-1,3-thiazole (CID 175045394) is 1,5-dimethyltetrazole;2,4-dimethyl-1,3-thiazole.
What is the SMILES notation for 1,5-dimethyltetrazole;2,4-dimethyl-1,3-thiazole?
The canonical SMILES for 1,5-dimethyltetrazole;2,4-dimethyl-1,3-thiazole is Cc1csc(C)n1.Cc1nnnn1C.
What is the InChIKey of 1,5-dimethyltetrazole;2,4-dimethyl-1,3-thiazole?
The InChIKey is VRNVIJNMPBIZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS.C3H6N4/c1-4-3-7-5(2)6-4;1-3-4-5-6-7(3)2/h3H,1-2H3;1-2H3.
What are the key properties of 1,5-dimethyltetrazole;2,4-dimethyl-1,3-thiazole?
1,5-dimethyltetrazole;2,4-dimethyl-1,3-thiazole has a molecular weight of 211.29 g/mol, XLogP of 1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyltetrazole;2,4-dimethyl-1,3-thiazole is sourced from PubChem (CID 175045394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).