4-[(1-tert-butyltetrazol-5-yl)methylsulfonylmethyl]-2-(trifluoromethyl)-1,3-thiazole

C11H14F3N5O2S2 — CID 167778253

IUPAC4-[(1-tert-butyltetrazol-5-yl)methylsulfonylmethyl]-2-(trifluoromethyl)-1,3-thiazole
SMILESCC(C)(C)n1nnnc1CS(=O)(=O)Cc1csc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N5O2S2/c1-10(2,3)19-8(16-17-18-19)6-23(20,21)5-7-4-22-9(15-7)11(12,13)14/h4H,5-6H2,1-3H3
InChIKeyFLOPTEIOGPUTKW-UHFFFAOYSA-N
MW369.39 g/mol
LogP2.02
Rot. Bonds4

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

4-[(1-tert-butyltetrazol-5-yl)methylsulfonylmethyl]-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 167778253) has the molecular formula C11H14F3N5O2S2 and a molecular weight of 369.39 g/mol. Its IUPAC name is 4-[(1-tert-butyltetrazol-5-yl)methylsulfonylmethyl]-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-[(1-tert-butyltetrazol-5-yl)methylsulfonylmethyl]-2-(trifluoromethyl)-1,3-thiazole
PubChem CID167778253
Molecular FormulaC11H14F3N5O2S2
Molecular Weight369.39 g/mol
Exact Mass369.05
IUPAC Name4-[(1-tert-butyltetrazol-5-yl)methylsulfonylmethyl]-2-(trifluoromethyl)-1,3-thiazole
SMILESCC(C)(C)n1nnnc1CS(=O)(=O)Cc1csc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N5O2S2/c1-10(2,3)19-8(16-17-18-19)6-23(20,21)5-7-4-22-9(15-7)11(12,13)14/h4H,5-6H2,1-3H3
InChIKeyFLOPTEIOGPUTKW-UHFFFAOYSA-N
XLogP2.02
TPSA90.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-tert-butyltetrazol-5-yl)methylsulfonylmethyl]-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 4-[(1-tert-butyltetrazol-5-yl)methylsulfonylmethyl]-2-(trifluoromethyl)-1,3-thiazole (CID 167778253) is 4-[(1-tert-butyltetrazol-5-yl)methylsulfonylmethyl]-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 4-[(1-tert-butyltetrazol-5-yl)methylsulfonylmethyl]-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 4-[(1-tert-butyltetrazol-5-yl)methylsulfonylmethyl]-2-(trifluoromethyl)-1,3-thiazole is CC(C)(C)n1nnnc1CS(=O)(=O)Cc1csc(C(F)(F)F)n1.
What is the InChIKey of 4-[(1-tert-butyltetrazol-5-yl)methylsulfonylmethyl]-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is FLOPTEIOGPUTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5O2S2/c1-10(2,3)19-8(16-17-18-19)6-23(20,21)5-7-4-22-9(15-7)11(12,13)14/h4H,5-6H2,1-3H3.
What are the key properties of 4-[(1-tert-butyltetrazol-5-yl)methylsulfonylmethyl]-2-(trifluoromethyl)-1,3-thiazole?
4-[(1-tert-butyltetrazol-5-yl)methylsulfonylmethyl]-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 369.39 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-tert-butyltetrazol-5-yl)methylsulfonylmethyl]-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 167778253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).