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

C17H13ClN4O2S2 — CID 1279853

IUPAC2-[[5-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSc1nnc2scc(-c3ccc(Cl)cc3)n12)NCc1ccco1
InChIInChI=1S/C17H13ClN4O2S2/c18-12-5-3-11(4-6-12)14-9-25-16-20-21-17(22(14)16)26-10-15(23)19-8-13-2-1-7-24-13/h1-7,9H,8,10H2,(H,19,23)
InChIKeyWBQYNYZKOAYVIW-UHFFFAOYSA-N
MW404.90 g/mol
LogP4.11
Rot. Bonds6

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

2-[[5-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 1279853) has the molecular formula C17H13ClN4O2S2 and a molecular weight of 404.90 g/mol. Its IUPAC name is 2-[[5-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[5-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
PubChem CID1279853
Molecular FormulaC17H13ClN4O2S2
Molecular Weight404.90 g/mol
Exact Mass404.02
IUPAC Name2-[[5-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSc1nnc2scc(-c3ccc(Cl)cc3)n12)NCc1ccco1
InChIInChI=1S/C17H13ClN4O2S2/c18-12-5-3-11(4-6-12)14-9-25-16-20-21-17(22(14)16)26-10-15(23)19-8-13-2-1-7-24-13/h1-7,9H,8,10H2,(H,19,23)
InChIKeyWBQYNYZKOAYVIW-UHFFFAOYSA-N
XLogP4.11
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 54.11
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
N-(2-furylmethyl)-2-[(5-phenyl[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)thio]acetamide
CID 1179266
N-(2-furylmethyl)-2-{[5-(4-methylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]thio}acetamide
CID 1179302
Furan-2-carboxylic acid [4-(4-chloro-phenyl)-thiazol-2-yl]-(3-dimethylamino-propyl)-amide
CID 24746984
Furan-2-carboxylic acid [4-(4-chloro-phenyl)-thiazol-2-yl]-(3-diethylamino-propyl)-amide
CID 24747033
N-(2-(2-(2-fluorophenyl)thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl)furan-2-carboxamide
CID 7216742
2-{4-[4-(4-Chloro-phenyl)-thiazol-2-yl]-piperazin-1-yl}-N-furan-2-ylmethyl-acetamide
CID 644688
2-[5-(4-Fluoro-phenyl)-thiazolo[2,3-c][1,2,4]triazol-3-ylsulfanyl]-N-furan-2-ylmethyl-acetamide
CID 649740
2-{4-Ethyl-5-[(4-phenyl-thiazol-2-ylamino)-methyl]-4H-[1,2,4]triazol-3-ylsulfanyl}-N-furan-2-ylmethyl-acetamide
CID 651200
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)piperazine-1-carbothioamide
CID 3223758
N-{2-[2-(4-fluorophenyl)-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl]ethyl}furan-2-carboxamide
CID 7243421
N-{2-[2-(2-Methylphenyl)-[1,2,4]triazolo[3,2-B][1,3]thiazol-6-YL]ethyl}furan-2-carboxamide
CID 7530944

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[[5-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide (CID 1279853) is 2-[[5-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[5-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[5-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide is O=C(CSc1nnc2scc(-c3ccc(Cl)cc3)n12)NCc1ccco1.
What is the InChIKey of 2-[[5-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is WBQYNYZKOAYVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O2S2/c18-12-5-3-11(4-6-12)14-9-25-16-20-21-17(22(14)16)26-10-15(23)19-8-13-2-1-7-24-13/h1-7,9H,8,10H2,(H,19,23).
What are the key properties of 2-[[5-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
2-[[5-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 404.90 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 1279853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).