6-chloro-N-imidazo[5,1-b][1,3]thiazol-5-yl-1H-indole-3-sulfonamide

C13H9ClN4O2S2 — CID 176710619

IUPAC6-chloro-N-imidazo[5,1-b][1,3]thiazol-5-yl-1H-indole-3-sulfonamide
SMILESO=S(=O)(Nc1ncc2sccn12)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C13H9ClN4O2S2/c14-8-1-2-9-10(5-8)15-6-11(9)22(19,20)17-13-16-7-12-18(13)3-4-21-12/h1-7,15H,(H,16,17)
InChIKeyLMUHSBGHNNIVFY-UHFFFAOYSA-N
MW352.83 g/mol
LogP3.33
Rot. Bonds3

About 6-chloro-N-imidazo[5,1-b][1,3]thiazol-5-yl-1H-indole-3-sulfonamide

6-chloro-N-imidazo[5,1-b][1,3]thiazol-5-yl-1H-indole-3-sulfonamide (PubChem CID 176710619) has the molecular formula C13H9ClN4O2S2 and a molecular weight of 352.83 g/mol. Its IUPAC name is 6-chloro-N-imidazo[5,1-b][1,3]thiazol-5-yl-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-imidazo[5,1-b][1,3]thiazol-5-yl-1H-indole-3-sulfonamide
PubChem CID176710619
Molecular FormulaC13H9ClN4O2S2
Molecular Weight352.83 g/mol
Exact Mass351.99
IUPAC Name6-chloro-N-imidazo[5,1-b][1,3]thiazol-5-yl-1H-indole-3-sulfonamide
SMILESO=S(=O)(Nc1ncc2sccn12)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C13H9ClN4O2S2/c14-8-1-2-9-10(5-8)15-6-11(9)22(19,20)17-13-16-7-12-18(13)3-4-21-12/h1-7,15H,(H,16,17)
InChIKeyLMUHSBGHNNIVFY-UHFFFAOYSA-N
XLogP3.33
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-imidazo[5,1-b][1,3]thiazol-5-yl-1H-indole-3-sulfonamide?
The IUPAC name of 6-chloro-N-imidazo[5,1-b][1,3]thiazol-5-yl-1H-indole-3-sulfonamide (CID 176710619) is 6-chloro-N-imidazo[5,1-b][1,3]thiazol-5-yl-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-imidazo[5,1-b][1,3]thiazol-5-yl-1H-indole-3-sulfonamide?
The canonical SMILES for 6-chloro-N-imidazo[5,1-b][1,3]thiazol-5-yl-1H-indole-3-sulfonamide is O=S(=O)(Nc1ncc2sccn12)c1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-N-imidazo[5,1-b][1,3]thiazol-5-yl-1H-indole-3-sulfonamide?
The InChIKey is LMUHSBGHNNIVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O2S2/c14-8-1-2-9-10(5-8)15-6-11(9)22(19,20)17-13-16-7-12-18(13)3-4-21-12/h1-7,15H,(H,16,17).
What are the key properties of 6-chloro-N-imidazo[5,1-b][1,3]thiazol-5-yl-1H-indole-3-sulfonamide?
6-chloro-N-imidazo[5,1-b][1,3]thiazol-5-yl-1H-indole-3-sulfonamide has a molecular weight of 352.83 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-imidazo[5,1-b][1,3]thiazol-5-yl-1H-indole-3-sulfonamide is sourced from PubChem (CID 176710619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).