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

C11H17N5S — CID 75373680

IUPAC2-[(5-tert-butyltetrazol-1-yl)methyl]-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(Cn2nnnc2C(C)(C)C)sc1C
InChIInChI=1S/C11H17N5S/c1-7-8(2)17-9(12-7)6-16-10(11(3,4)5)13-14-15-16/h6H2,1-5H3
InChIKeyRGMZEJIFRINXRK-UHFFFAOYSA-N
MW251.36 g/mol
LogP2.09
Rot. Bonds2

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

2-[(5-tert-butyltetrazol-1-yl)methyl]-4,5-dimethyl-1,3-thiazole (PubChem CID 75373680) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is 2-[(5-tert-butyltetrazol-1-yl)methyl]-4,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(5-tert-butyltetrazol-1-yl)methyl]-4,5-dimethyl-1,3-thiazole
PubChem CID75373680
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC Name2-[(5-tert-butyltetrazol-1-yl)methyl]-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(Cn2nnnc2C(C)(C)C)sc1C
InChIInChI=1S/C11H17N5S/c1-7-8(2)17-9(12-7)6-16-10(11(3,4)5)13-14-15-16/h6H2,1-5H3
InChIKeyRGMZEJIFRINXRK-UHFFFAOYSA-N
XLogP2.09
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyltetrazol-1-yl)methyl]-4,5-dimethyl-1,3-thiazole?
The IUPAC name of 2-[(5-tert-butyltetrazol-1-yl)methyl]-4,5-dimethyl-1,3-thiazole (CID 75373680) is 2-[(5-tert-butyltetrazol-1-yl)methyl]-4,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 2-[(5-tert-butyltetrazol-1-yl)methyl]-4,5-dimethyl-1,3-thiazole?
The canonical SMILES for 2-[(5-tert-butyltetrazol-1-yl)methyl]-4,5-dimethyl-1,3-thiazole is Cc1nc(Cn2nnnc2C(C)(C)C)sc1C.
What is the InChIKey of 2-[(5-tert-butyltetrazol-1-yl)methyl]-4,5-dimethyl-1,3-thiazole?
The InChIKey is RGMZEJIFRINXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-7-8(2)17-9(12-7)6-16-10(11(3,4)5)13-14-15-16/h6H2,1-5H3.
What are the key properties of 2-[(5-tert-butyltetrazol-1-yl)methyl]-4,5-dimethyl-1,3-thiazole?
2-[(5-tert-butyltetrazol-1-yl)methyl]-4,5-dimethyl-1,3-thiazole has a molecular weight of 251.36 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyltetrazol-1-yl)methyl]-4,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 75373680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).