N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)butane-1-sulfonamide

C14H16N4O2S2 — CID 108780563

IUPACN-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1nc2scc(-c3ccccc3)n2n1
InChIInChI=1S/C14H16N4O2S2/c1-2-3-9-22(19,20)17-13-15-14-18(16-13)12(10-21-14)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H,16,17)
InChIKeyFFJKOXZQXBSTKE-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.00
Rot. Bonds6

About N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)butane-1-sulfonamide

N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)butane-1-sulfonamide (PubChem CID 108780563) has the molecular formula C14H16N4O2S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)butane-1-sulfonamide
PubChem CID108780563
Molecular FormulaC14H16N4O2S2
Molecular Weight336.44 g/mol
Exact Mass336.07
IUPAC NameN-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1nc2scc(-c3ccccc3)n2n1
InChIInChI=1S/C14H16N4O2S2/c1-2-3-9-22(19,20)17-13-15-14-18(16-13)12(10-21-14)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H,16,17)
InChIKeyFFJKOXZQXBSTKE-UHFFFAOYSA-N
XLogP3.00
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]butane-1-sulfonamide
CID 108780734
N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzenesulfonamide
CID 108780564
N-methyl-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 116829136
3,4-dimethoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzenesulfonamide
CID 108780578
5-chloro-2-methoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzenesulfonamide
CID 108780573
4-hexoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide
CID 108751813
3-chloro-2,2-dimethyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)propanamide
CID 108751761
2,4-dimethyl-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide
CID 108780603
4-phenyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide
CID 108751770
2-methylpropyl N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate
CID 108727855
N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-(4-propylphenoxy)acetamide
CID 108751871
N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 108772214

Frequently Asked Questions

What is the IUPAC name of N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)butane-1-sulfonamide?
The IUPAC name of N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)butane-1-sulfonamide (CID 108780563) is N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)butane-1-sulfonamide.
What is the SMILES notation for N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)butane-1-sulfonamide?
The canonical SMILES for N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)butane-1-sulfonamide is CCCCS(=O)(=O)Nc1nc2scc(-c3ccccc3)n2n1.
What is the InChIKey of N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)butane-1-sulfonamide?
The InChIKey is FFJKOXZQXBSTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S2/c1-2-3-9-22(19,20)17-13-15-14-18(16-13)12(10-21-14)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H,16,17).
What are the key properties of N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)butane-1-sulfonamide?
N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)butane-1-sulfonamide has a molecular weight of 336.44 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)butane-1-sulfonamide is sourced from PubChem (CID 108780563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).