N-[2-(2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]thiophene-2-carboxamide

C17H14N4OS2 — CID 6624241

IUPACN-[2-(2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCc1csc2nc(-c3ccccc3)nn12)c1cccs1
InChIInChI=1S/C17H14N4OS2/c22-16(14-7-4-10-23-14)18-9-8-13-11-24-17-19-15(20-21(13)17)12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H,18,22)
InChIKeyLLDJIHKPDFIVLZ-UHFFFAOYSA-N
MW354.46 g/mol
LogP3.49
Rot. Bonds5

About N-[2-(2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]thiophene-2-carboxamide

N-[2-(2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]thiophene-2-carboxamide (PubChem CID 6624241) has the molecular formula C17H14N4OS2 and a molecular weight of 354.46 g/mol. Its IUPAC name is N-[2-(2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]thiophene-2-carboxamide
PubChem CID6624241
Molecular FormulaC17H14N4OS2
Molecular Weight354.46 g/mol
Exact Mass354.06
IUPAC NameN-[2-(2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCc1csc2nc(-c3ccccc3)nn12)c1cccs1
InChIInChI=1S/C17H14N4OS2/c22-16(14-7-4-10-23-14)18-9-8-13-11-24-17-19-15(20-21(13)17)12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H,18,22)
InChIKeyLLDJIHKPDFIVLZ-UHFFFAOYSA-N
XLogP3.49
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]thiophene-2-carboxamide (CID 6624241) is N-[2-(2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]thiophene-2-carboxamide is O=C(NCCc1csc2nc(-c3ccccc3)nn12)c1cccs1.
What is the InChIKey of N-[2-(2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is LLDJIHKPDFIVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS2/c22-16(14-7-4-10-23-14)18-9-8-13-11-24-17-19-15(20-21(13)17)12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H,18,22).
What are the key properties of N-[2-(2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]thiophene-2-carboxamide?
N-[2-(2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 354.46 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 6624241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).