N-(4-tert-butyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide

C12H15N3O3S2 — CID 61499926

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCC(C)(C)c1csc(NS(=O)(=O)c2ccc(=O)[nH]c2)n1
InChIInChI=1S/C12H15N3O3S2/c1-12(2,3)9-7-19-11(14-9)15-20(17,18)8-4-5-10(16)13-6-8/h4-7H,1-3H3,(H,13,16)(H,14,15)
InChIKeyQOUNYHSBXHGAFX-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.93
Rot. Bonds3

About N-(4-tert-butyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 61499926) has the molecular formula C12H15N3O3S2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID61499926
Molecular FormulaC12H15N3O3S2
Molecular Weight313.40 g/mol
Exact Mass313.06
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCC(C)(C)c1csc(NS(=O)(=O)c2ccc(=O)[nH]c2)n1
InChIInChI=1S/C12H15N3O3S2/c1-12(2,3)9-7-19-11(14-9)15-20(17,18)8-4-5-10(16)13-6-8/h4-7H,1-3H3,(H,13,16)(H,14,15)
InChIKeyQOUNYHSBXHGAFX-UHFFFAOYSA-N
XLogP1.93
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide (CID 61499926) is N-(4-tert-butyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide is CC(C)(C)c1csc(NS(=O)(=O)c2ccc(=O)[nH]c2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is QOUNYHSBXHGAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S2/c1-12(2,3)9-7-19-11(14-9)15-20(17,18)8-4-5-10(16)13-6-8/h4-7H,1-3H3,(H,13,16)(H,14,15).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 313.40 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 61499926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).