6-chloro-N-(1,3,4-thiadiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C7H4ClN5O2S3 — CID 60812637

IUPAC6-chloro-N-(1,3,4-thiadiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1nncs1)c1c(Cl)nc2sccn12
InChIInChI=1S/C7H4ClN5O2S3/c8-4-5(13-1-2-16-7(13)10-4)18(14,15)12-6-11-9-3-17-6/h1-3H,(H,11,12)
InChIKeyRRIUFXRRFGQCOL-UHFFFAOYSA-N
MW321.80 g/mol
LogP1.70
Rot. Bonds3

About 6-chloro-N-(1,3,4-thiadiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-chloro-N-(1,3,4-thiadiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 60812637) has the molecular formula C7H4ClN5O2S3 and a molecular weight of 321.80 g/mol. Its IUPAC name is 6-chloro-N-(1,3,4-thiadiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(1,3,4-thiadiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID60812637
Molecular FormulaC7H4ClN5O2S3
Molecular Weight321.80 g/mol
Exact Mass320.92
IUPAC Name6-chloro-N-(1,3,4-thiadiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1nncs1)c1c(Cl)nc2sccn12
InChIInChI=1S/C7H4ClN5O2S3/c8-4-5(13-1-2-16-7(13)10-4)18(14,15)12-6-11-9-3-17-6/h1-3H,(H,11,12)
InChIKeyRRIUFXRRFGQCOL-UHFFFAOYSA-N
XLogP1.70
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.80
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1,3,4-thiadiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-(1,3,4-thiadiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 60812637) is 6-chloro-N-(1,3,4-thiadiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-(1,3,4-thiadiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-(1,3,4-thiadiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is O=S(=O)(Nc1nncs1)c1c(Cl)nc2sccn12.
What is the InChIKey of 6-chloro-N-(1,3,4-thiadiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is RRIUFXRRFGQCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClN5O2S3/c8-4-5(13-1-2-16-7(13)10-4)18(14,15)12-6-11-9-3-17-6/h1-3H,(H,11,12).
What are the key properties of 6-chloro-N-(1,3,4-thiadiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-(1,3,4-thiadiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 321.80 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1,3,4-thiadiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 60812637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).