4,5-dimethyl-2-[(5-methyltetrazol-1-yl)methyl]-1,3-thiazole

C8H11N5S — CID 75482318

IUPAC4,5-dimethyl-2-[(5-methyltetrazol-1-yl)methyl]-1,3-thiazole
SMILESCc1nc(Cn2nnnc2C)sc1C
InChIInChI=1S/C8H11N5S/c1-5-6(2)14-8(9-5)4-13-7(3)10-11-12-13/h4H2,1-3H3
InChIKeyHIODKCZGICGLRE-UHFFFAOYSA-N
MW209.28 g/mol
LogP1.10
Rot. Bonds2

About 4,5-dimethyl-2-[(5-methyltetrazol-1-yl)methyl]-1,3-thiazole

4,5-dimethyl-2-[(5-methyltetrazol-1-yl)methyl]-1,3-thiazole (PubChem CID 75482318) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is 4,5-dimethyl-2-[(5-methyltetrazol-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4,5-dimethyl-2-[(5-methyltetrazol-1-yl)methyl]-1,3-thiazole
PubChem CID75482318
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC Name4,5-dimethyl-2-[(5-methyltetrazol-1-yl)methyl]-1,3-thiazole
SMILESCc1nc(Cn2nnnc2C)sc1C
InChIInChI=1S/C8H11N5S/c1-5-6(2)14-8(9-5)4-13-7(3)10-11-12-13/h4H2,1-3H3
InChIKeyHIODKCZGICGLRE-UHFFFAOYSA-N
XLogP1.10
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 51.10
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-[(5-methyltetrazol-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 4,5-dimethyl-2-[(5-methyltetrazol-1-yl)methyl]-1,3-thiazole (CID 75482318) is 4,5-dimethyl-2-[(5-methyltetrazol-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4,5-dimethyl-2-[(5-methyltetrazol-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4,5-dimethyl-2-[(5-methyltetrazol-1-yl)methyl]-1,3-thiazole is Cc1nc(Cn2nnnc2C)sc1C.
What is the InChIKey of 4,5-dimethyl-2-[(5-methyltetrazol-1-yl)methyl]-1,3-thiazole?
The InChIKey is HIODKCZGICGLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c1-5-6(2)14-8(9-5)4-13-7(3)10-11-12-13/h4H2,1-3H3.
What are the key properties of 4,5-dimethyl-2-[(5-methyltetrazol-1-yl)methyl]-1,3-thiazole?
4,5-dimethyl-2-[(5-methyltetrazol-1-yl)methyl]-1,3-thiazole has a molecular weight of 209.28 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[(5-methyltetrazol-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 75482318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).