N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propane-1-sulfonamide

C14H15N3O2S2 — CID 7151309

IUPACN-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc(-c2cn3ccsc3n2)c1
InChIInChI=1S/C14H15N3O2S2/c1-2-8-21(18,19)16-12-5-3-4-11(9-12)13-10-17-6-7-20-14(17)15-13/h3-7,9-10,16H,2,8H2,1H3
InChIKeyNJJUKNSKKKVDOF-UHFFFAOYSA-N
MW321.43 g/mol
LogP3.21
Rot. Bonds5

About N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propane-1-sulfonamide

N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propane-1-sulfonamide (PubChem CID 7151309) has the molecular formula C14H15N3O2S2 and a molecular weight of 321.43 g/mol. Its IUPAC name is N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propane-1-sulfonamide
PubChem CID7151309
Molecular FormulaC14H15N3O2S2
Molecular Weight321.43 g/mol
Exact Mass321.06
IUPAC NameN-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc(-c2cn3ccsc3n2)c1
InChIInChI=1S/C14H15N3O2S2/c1-2-8-21(18,19)16-12-5-3-4-11(9-12)13-10-17-6-7-20-14(17)15-13/h3-7,9-10,16H,2,8H2,1H3
InChIKeyNJJUKNSKKKVDOF-UHFFFAOYSA-N
XLogP3.21
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propane-1-sulfonamide?
The IUPAC name of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propane-1-sulfonamide (CID 7151309) is N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propane-1-sulfonamide.
What is the SMILES notation for N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propane-1-sulfonamide?
The canonical SMILES for N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1cccc(-c2cn3ccsc3n2)c1.
What is the InChIKey of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propane-1-sulfonamide?
The InChIKey is NJJUKNSKKKVDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S2/c1-2-8-21(18,19)16-12-5-3-4-11(9-12)13-10-17-6-7-20-14(17)15-13/h3-7,9-10,16H,2,8H2,1H3.
What are the key properties of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propane-1-sulfonamide?
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propane-1-sulfonamide has a molecular weight of 321.43 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propane-1-sulfonamide is sourced from PubChem (CID 7151309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).