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

C11H17N5S — CID 75417349

IUPAC4-[(5-tert-butyltetrazol-1-yl)methyl]-2-ethyl-1,3-thiazole
SMILESCCc1nc(Cn2nnnc2C(C)(C)C)cs1
InChIInChI=1S/C11H17N5S/c1-5-9-12-8(7-17-9)6-16-10(11(2,3)4)13-14-15-16/h7H,5-6H2,1-4H3
InChIKeyVCWIOVOMSIGICB-UHFFFAOYSA-N
MW251.36 g/mol
LogP2.04
Rot. Bonds3

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

4-[(5-tert-butyltetrazol-1-yl)methyl]-2-ethyl-1,3-thiazole (PubChem CID 75417349) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is 4-[(5-tert-butyltetrazol-1-yl)methyl]-2-ethyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(5-tert-butyltetrazol-1-yl)methyl]-2-ethyl-1,3-thiazole
PubChem CID75417349
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC Name4-[(5-tert-butyltetrazol-1-yl)methyl]-2-ethyl-1,3-thiazole
SMILESCCc1nc(Cn2nnnc2C(C)(C)C)cs1
InChIInChI=1S/C11H17N5S/c1-5-9-12-8(7-17-9)6-16-10(11(2,3)4)13-14-15-16/h7H,5-6H2,1-4H3
InChIKeyVCWIOVOMSIGICB-UHFFFAOYSA-N
XLogP2.04
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-tert-butyltetrazol-1-yl)methyl]-2-ethyl-1,3-thiazole?
The IUPAC name of 4-[(5-tert-butyltetrazol-1-yl)methyl]-2-ethyl-1,3-thiazole (CID 75417349) is 4-[(5-tert-butyltetrazol-1-yl)methyl]-2-ethyl-1,3-thiazole.
What is the SMILES notation for 4-[(5-tert-butyltetrazol-1-yl)methyl]-2-ethyl-1,3-thiazole?
The canonical SMILES for 4-[(5-tert-butyltetrazol-1-yl)methyl]-2-ethyl-1,3-thiazole is CCc1nc(Cn2nnnc2C(C)(C)C)cs1.
What is the InChIKey of 4-[(5-tert-butyltetrazol-1-yl)methyl]-2-ethyl-1,3-thiazole?
The InChIKey is VCWIOVOMSIGICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-5-9-12-8(7-17-9)6-16-10(11(2,3)4)13-14-15-16/h7H,5-6H2,1-4H3.
What are the key properties of 4-[(5-tert-butyltetrazol-1-yl)methyl]-2-ethyl-1,3-thiazole?
4-[(5-tert-butyltetrazol-1-yl)methyl]-2-ethyl-1,3-thiazole has a molecular weight of 251.36 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-tert-butyltetrazol-1-yl)methyl]-2-ethyl-1,3-thiazole is sourced from PubChem (CID 75417349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).