N-cyclohexyl-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)propanamide

C17H20N4OS2 — CID 51303458

IUPACN-cyclohexyl-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)propanamide
SMILESO=C(CCSc1nnc2sc3ccccc3n12)NC1CCCCC1
InChIInChI=1S/C17H20N4OS2/c22-15(18-12-6-2-1-3-7-12)10-11-23-16-19-20-17-21(16)13-8-4-5-9-14(13)24-17/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,18,22)
InChIKeyXKHBPCSLPRGTRK-UHFFFAOYSA-N
MW360.51 g/mol
LogP3.88
Rot. Bonds5

About N-cyclohexyl-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)propanamide

N-cyclohexyl-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)propanamide (PubChem CID 51303458) has the molecular formula C17H20N4OS2 and a molecular weight of 360.51 g/mol. Its IUPAC name is N-cyclohexyl-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)propanamide
PubChem CID51303458
Molecular FormulaC17H20N4OS2
Molecular Weight360.51 g/mol
Exact Mass360.11
IUPAC NameN-cyclohexyl-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)propanamide
SMILESO=C(CCSc1nnc2sc3ccccc3n12)NC1CCCCC1
InChIInChI=1S/C17H20N4OS2/c22-15(18-12-6-2-1-3-7-12)10-11-23-16-19-20-17-21(16)13-8-4-5-9-14(13)24-17/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,18,22)
InChIKeyXKHBPCSLPRGTRK-UHFFFAOYSA-N
XLogP3.88
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)propanamide?
The IUPAC name of N-cyclohexyl-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)propanamide (CID 51303458) is N-cyclohexyl-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)propanamide.
What is the SMILES notation for N-cyclohexyl-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)propanamide?
The canonical SMILES for N-cyclohexyl-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)propanamide is O=C(CCSc1nnc2sc3ccccc3n12)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)propanamide?
The InChIKey is XKHBPCSLPRGTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS2/c22-15(18-12-6-2-1-3-7-12)10-11-23-16-19-20-17-21(16)13-8-4-5-9-14(13)24-17/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,18,22).
What are the key properties of N-cyclohexyl-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)propanamide?
N-cyclohexyl-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)propanamide has a molecular weight of 360.51 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)propanamide is sourced from PubChem (CID 51303458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).