N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]butane-1-sulfonamide

C10H16N4O2S2 — CID 110727061

IUPACN-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCc1csc2nncn12
InChIInChI=1S/C10H16N4O2S2/c1-2-3-6-18(15,16)12-5-4-9-7-17-10-13-11-8-14(9)10/h7-8,12H,2-6H2,1H3
InChIKeyPTISHWLYBSZNSY-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.05
Rot. Bonds7

About N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]butane-1-sulfonamide

N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]butane-1-sulfonamide (PubChem CID 110727061) has the molecular formula C10H16N4O2S2 and a molecular weight of 288.40 g/mol. Its IUPAC name is N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]butane-1-sulfonamide
PubChem CID110727061
Molecular FormulaC10H16N4O2S2
Molecular Weight288.40 g/mol
Exact Mass288.07
IUPAC NameN-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCc1csc2nncn12
InChIInChI=1S/C10H16N4O2S2/c1-2-3-6-18(15,16)12-5-4-9-7-17-10-13-11-8-14(9)10/h7-8,12H,2-6H2,1H3
InChIKeyPTISHWLYBSZNSY-UHFFFAOYSA-N
XLogP1.05
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]butane-1-sulfonamide?
The IUPAC name of N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]butane-1-sulfonamide (CID 110727061) is N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]butane-1-sulfonamide.
What is the SMILES notation for N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]butane-1-sulfonamide?
The canonical SMILES for N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCCc1csc2nncn12.
What is the InChIKey of N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]butane-1-sulfonamide?
The InChIKey is PTISHWLYBSZNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S2/c1-2-3-6-18(15,16)12-5-4-9-7-17-10-13-11-8-14(9)10/h7-8,12H,2-6H2,1H3.
What are the key properties of N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]butane-1-sulfonamide?
N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]butane-1-sulfonamide has a molecular weight of 288.40 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]butane-1-sulfonamide is sourced from PubChem (CID 110727061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).