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

C18H16N4O2S2 — CID 1179302

IUPACN-(furan-2-ylmethyl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide
SMILESCc1ccc(-c2csc3nnc(SCC(=O)NCc4ccco4)n23)cc1
InChIInChI=1S/C18H16N4O2S2/c1-12-4-6-13(7-5-12)15-10-25-17-20-21-18(22(15)17)26-11-16(23)19-9-14-3-2-8-24-14/h2-8,10H,9,11H2,1H3,(H,19,23)
InChIKeyLEHKXNADNISRFS-UHFFFAOYSA-N
MW384.49 g/mol
LogP3.77
Rot. Bonds6

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

N-(furan-2-ylmethyl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide (PubChem CID 1179302) has the molecular formula C18H16N4O2S2 and a molecular weight of 384.49 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide
PubChem CID1179302
Molecular FormulaC18H16N4O2S2
Molecular Weight384.49 g/mol
Exact Mass384.07
IUPAC NameN-(furan-2-ylmethyl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide
SMILESCc1ccc(-c2csc3nnc(SCC(=O)NCc4ccco4)n23)cc1
InChIInChI=1S/C18H16N4O2S2/c1-12-4-6-13(7-5-12)15-10-25-17-20-21-18(22(15)17)26-11-16(23)19-9-14-3-2-8-24-14/h2-8,10H,9,11H2,1H3,(H,19,23)
InChIKeyLEHKXNADNISRFS-UHFFFAOYSA-N
XLogP3.77
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(benzo[4,5]thiazolo[2,3-c][1,2,4]triazol-3-ylthio)-N-(furan-2-ylmethyl)acetamide
CID 722251
2-[4-Furan-2-ylmethyl-5-(2-methyl-furan-3-yl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(4-methyl-thiazol-2-yl)-acetamide
CID 647720
Furan-2-carboxylic acid (tetrahydro-furan-2-ylmethyl)-(4-p-tolyl-thiazol-2-yl)-amide
CID 648656
N-Furan-2-ylmethyl-N-(4-phenyl-thiazol-2-yl)-propionamide
CID 651338
2-[5-(2-Methyl-furan-3-yl)-4-phenethyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(4-methyl-thiazol-2-yl)-acetamide
CID 652738
N-{2-[(Furan-2-ylmethyl)-amino]-4'-methyl-[4,5']bithiazolyl-2'-yl}-benzamide
CID 655046
Thiophene-2-carboxylic acid furan-2-ylmethyl-(4-p-tolyl-thiazol-2-yl)-amide
CID 1175951
N-(2-furylmethyl)-2-[(5-phenyl[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)thio]acetamide
CID 1179266
2-(4-Furan-2-ylmethyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(4-phenyl-thiazol-2-yl)-acetamide
CID 1733898
N-[4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 2458702
1-(furan-2-ylmethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 4880978
N-{2-[6-Methyl-2-(4-methylphenyl)-[1,2,4]triazolo[3,2-B][1,3]thiazol-5-YL]ethyl}furan-2-carboxamide
CID 7287063

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide (CID 1179302) is N-(furan-2-ylmethyl)-2-[[5-(4-methylphenyl)-[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-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide is Cc1ccc(-c2csc3nnc(SCC(=O)NCc4ccco4)n23)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide?
The InChIKey is LEHKXNADNISRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S2/c1-12-4-6-13(7-5-12)15-10-25-17-20-21-18(22(15)17)26-11-16(23)19-9-14-3-2-8-24-14/h2-8,10H,9,11H2,1H3,(H,19,23).
What are the key properties of N-(furan-2-ylmethyl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide?
N-(furan-2-ylmethyl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide has a molecular weight of 384.49 g/mol, XLogP of 3.77, 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-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 1179302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).