4-bromo-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide

C12H12BrN3O2S2 — CID 43593427

IUPAC4-bromo-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc2c(s1)CNCC2)c1ccc(Br)cc1
InChIInChI=1S/C12H12BrN3O2S2/c13-8-1-3-9(4-2-8)20(17,18)16-12-15-10-5-6-14-7-11(10)19-12/h1-4,14H,5-7H2,(H,15,16)
InChIKeyMFYVLRSOCPXNMG-UHFFFAOYSA-N
MW374.29 g/mol
LogP2.35
Rot. Bonds3

About 4-bromo-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide

4-bromo-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide (PubChem CID 43593427) has the molecular formula C12H12BrN3O2S2 and a molecular weight of 374.29 g/mol. Its IUPAC name is 4-bromo-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide
PubChem CID43593427
Molecular FormulaC12H12BrN3O2S2
Molecular Weight374.29 g/mol
Exact Mass372.96
IUPAC Name4-bromo-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc2c(s1)CNCC2)c1ccc(Br)cc1
InChIInChI=1S/C12H12BrN3O2S2/c13-8-1-3-9(4-2-8)20(17,18)16-12-15-10-5-6-14-7-11(10)19-12/h1-4,14H,5-7H2,(H,15,16)
InChIKeyMFYVLRSOCPXNMG-UHFFFAOYSA-N
XLogP2.35
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.29
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide (CID 43593427) is 4-bromo-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide is O=S(=O)(Nc1nc2c(s1)CNCC2)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide?
The InChIKey is MFYVLRSOCPXNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2S2/c13-8-1-3-9(4-2-8)20(17,18)16-12-15-10-5-6-14-7-11(10)19-12/h1-4,14H,5-7H2,(H,15,16).
What are the key properties of 4-bromo-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide?
4-bromo-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide has a molecular weight of 374.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide is sourced from PubChem (CID 43593427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).