N-(furan-2-ylmethyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide

C17H14N4O2S2 — CID 1179266

IUPACN-(furan-2-ylmethyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc2scc(-c3ccccc3)n12)NCc1ccco1
InChIInChI=1S/C17H14N4O2S2/c22-15(18-9-13-7-4-8-23-13)11-25-17-20-19-16-21(17)14(10-24-16)12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,18,22)
InChIKeyWFPJQCOAZQLCNS-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.46
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide

N-(furan-2-ylmethyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide (PubChem CID 1179266) has the molecular formula C17H14N4O2S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide
PubChem CID1179266
Molecular FormulaC17H14N4O2S2
Molecular Weight370.46 g/mol
Exact Mass370.06
IUPAC NameN-(furan-2-ylmethyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc2scc(-c3ccccc3)n12)NCc1ccco1
InChIInChI=1S/C17H14N4O2S2/c22-15(18-9-13-7-4-8-23-13)11-25-17-20-19-16-21(17)14(10-24-16)12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,18,22)
InChIKeyWFPJQCOAZQLCNS-UHFFFAOYSA-N
XLogP3.46
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide (CID 1179266) is N-(furan-2-ylmethyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide is O=C(CSc1nnc2scc(-c3ccccc3)n12)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide?
The InChIKey is WFPJQCOAZQLCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S2/c22-15(18-9-13-7-4-8-23-13)11-25-17-20-19-16-21(17)14(10-24-16)12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,18,22).
What are the key properties of N-(furan-2-ylmethyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide?
N-(furan-2-ylmethyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide has a molecular weight of 370.46 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 1179266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).