4-tert-butyl-2-(pyridin-2-ylsulfonylmethyl)-1,3-thiazole

C13H16N2O2S2 — CID 2744018

IUPAC4-tert-butyl-2-(pyridin-2-ylsulfonylmethyl)-1,3-thiazole
SMILESCC(C)(C)c1csc(CS(=O)(=O)c2ccccn2)n1
InChIInChI=1S/C13H16N2O2S2/c1-13(2,3)10-8-18-11(15-10)9-19(16,17)12-6-4-5-7-14-12/h4-8H,9H2,1-3H3
InChIKeyNTKCCQNHRGSRLG-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.81
Rot. Bonds3

About 4-tert-butyl-2-(pyridin-2-ylsulfonylmethyl)-1,3-thiazole

4-tert-butyl-2-(pyridin-2-ylsulfonylmethyl)-1,3-thiazole (PubChem CID 2744018) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 4-tert-butyl-2-(pyridin-2-ylsulfonylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-tert-butyl-2-(pyridin-2-ylsulfonylmethyl)-1,3-thiazole
PubChem CID2744018
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC Name4-tert-butyl-2-(pyridin-2-ylsulfonylmethyl)-1,3-thiazole
SMILESCC(C)(C)c1csc(CS(=O)(=O)c2ccccn2)n1
InChIInChI=1S/C13H16N2O2S2/c1-13(2,3)10-8-18-11(15-10)9-19(16,17)12-6-4-5-7-14-12/h4-8H,9H2,1-3H3
InChIKeyNTKCCQNHRGSRLG-UHFFFAOYSA-N
XLogP2.81
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(pyridin-2-ylsulfonylmethyl)-1,3-thiazole?
The IUPAC name of 4-tert-butyl-2-(pyridin-2-ylsulfonylmethyl)-1,3-thiazole (CID 2744018) is 4-tert-butyl-2-(pyridin-2-ylsulfonylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-tert-butyl-2-(pyridin-2-ylsulfonylmethyl)-1,3-thiazole?
The canonical SMILES for 4-tert-butyl-2-(pyridin-2-ylsulfonylmethyl)-1,3-thiazole is CC(C)(C)c1csc(CS(=O)(=O)c2ccccn2)n1.
What is the InChIKey of 4-tert-butyl-2-(pyridin-2-ylsulfonylmethyl)-1,3-thiazole?
The InChIKey is NTKCCQNHRGSRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c1-13(2,3)10-8-18-11(15-10)9-19(16,17)12-6-4-5-7-14-12/h4-8H,9H2,1-3H3.
What are the key properties of 4-tert-butyl-2-(pyridin-2-ylsulfonylmethyl)-1,3-thiazole?
4-tert-butyl-2-(pyridin-2-ylsulfonylmethyl)-1,3-thiazole has a molecular weight of 296.42 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(pyridin-2-ylsulfonylmethyl)-1,3-thiazole is sourced from PubChem (CID 2744018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).