5-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(methylamino)pyridine-3-sulfonamide

C12H15BrN4O2S2 — CID 62153330

IUPAC5-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(methylamino)pyridine-3-sulfonamide
SMILESCCc1nc(NS(=O)(=O)c2cc(Br)cnc2NC)sc1C
InChIInChI=1S/C12H15BrN4O2S2/c1-4-9-7(2)20-12(16-9)17-21(18,19)10-5-8(13)6-15-11(10)14-3/h5-6H,4H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyZUQHTIATBHHYCH-UHFFFAOYSA-N
MW391.32 g/mol
LogP3.01
Rot. Bonds5

About 5-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(methylamino)pyridine-3-sulfonamide

5-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(methylamino)pyridine-3-sulfonamide (PubChem CID 62153330) has the molecular formula C12H15BrN4O2S2 and a molecular weight of 391.32 g/mol. Its IUPAC name is 5-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(methylamino)pyridine-3-sulfonamide
PubChem CID62153330
Molecular FormulaC12H15BrN4O2S2
Molecular Weight391.32 g/mol
Exact Mass389.98
IUPAC Name5-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(methylamino)pyridine-3-sulfonamide
SMILESCCc1nc(NS(=O)(=O)c2cc(Br)cnc2NC)sc1C
InChIInChI=1S/C12H15BrN4O2S2/c1-4-9-7(2)20-12(16-9)17-21(18,19)10-5-8(13)6-15-11(10)14-3/h5-6H,4H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyZUQHTIATBHHYCH-UHFFFAOYSA-N
XLogP3.01
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.32
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(methylamino)pyridine-3-sulfonamide (CID 62153330) is 5-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(methylamino)pyridine-3-sulfonamide is CCc1nc(NS(=O)(=O)c2cc(Br)cnc2NC)sc1C.
What is the InChIKey of 5-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(methylamino)pyridine-3-sulfonamide?
The InChIKey is ZUQHTIATBHHYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O2S2/c1-4-9-7(2)20-12(16-9)17-21(18,19)10-5-8(13)6-15-11(10)14-3/h5-6H,4H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 5-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(methylamino)pyridine-3-sulfonamide?
5-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(methylamino)pyridine-3-sulfonamide has a molecular weight of 391.32 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62153330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).