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

C18H16N4O2S3 — CID 653106

IUPAC2-[[5-(3-methoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1cccc(-c2csc3nnc(SCC(=O)NCc4cccs4)n23)c1
InChIInChI=1S/C18H16N4O2S3/c1-24-13-5-2-4-12(8-13)15-10-26-17-20-21-18(22(15)17)27-11-16(23)19-9-14-6-3-7-25-14/h2-8,10H,9,11H2,1H3,(H,19,23)
InChIKeyAHMJDVOPDWYUPC-UHFFFAOYSA-N
MW416.55 g/mol
LogP3.94
Rot. Bonds7

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

2-[[5-(3-methoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 653106) has the molecular formula C18H16N4O2S3 and a molecular weight of 416.55 g/mol. Its IUPAC name is 2-[[5-(3-methoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[5-(3-methoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID653106
Molecular FormulaC18H16N4O2S3
Molecular Weight416.55 g/mol
Exact Mass416.04
IUPAC Name2-[[5-(3-methoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1cccc(-c2csc3nnc(SCC(=O)NCc4cccs4)n23)c1
InChIInChI=1S/C18H16N4O2S3/c1-24-13-5-2-4-12(8-13)15-10-26-17-20-21-18(22(15)17)27-11-16(23)19-9-14-6-3-7-25-14/h2-8,10H,9,11H2,1H3,(H,19,23)
InChIKeyAHMJDVOPDWYUPC-UHFFFAOYSA-N
XLogP3.94
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]ethanone
CID 983998
N-(4-Acetylamino-phenyl)-2-[5-(2,5-dimethoxy-phenyl)-thiazolo[2,3-c][1,2,4]triazol-3-ylsulfanyl]-acetamide
CID 645313
N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide
CID 1085107
N-(3-methoxyphenyl)-3-[(5-phenyl[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)thio]propanamide
CID 1281415
N-(1,3-benzodioxol-5-ylmethyl)-3-[(5-phenyl[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)thio]propanamide
CID 1281416
N-(4-ethoxyphenyl)-2-((5-phenylthiazolo[2,3-c][1,2,4]triazol-3-yl)thio)acetamide
CID 1179262
N-(1,3-benzodioxol-5-ylmethyl)-2-{[5-(4-methylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]thio}acetamide
CID 2213077
N-[[5-[2-[[N'-[2-(2-methoxyphenyl)ethyl]carbamimidoyl]amino]-1,3-thiazol-4-yl]thiophen-2-yl]methyl]acetamide
CID 10938903
N-[2-(4-methoxyphenyl)ethyl]-2-{7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaen-3-ylsulfanyl}acetamide
CID 985317
N-(4-methoxyphenyl)-2-((5-(p-tolyl)thiazolo[2,3-c][1,2,4]triazol-3-yl)thio)acetamide
CID 1179299
N-(3-methoxyphenyl)-2-({5-phenyl-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl}sulfanyl)acetamide
CID 1281410
N-(4-ethoxyphenyl)-3-((5-phenylthiazolo[2,3-c][1,2,4]triazol-3-yl)thio)propanamide
CID 1281414

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-methoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[[5-(3-methoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide (CID 653106) is 2-[[5-(3-methoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[5-(3-methoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[5-(3-methoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide is COc1cccc(-c2csc3nnc(SCC(=O)NCc4cccs4)n23)c1.
What is the InChIKey of 2-[[5-(3-methoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is AHMJDVOPDWYUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S3/c1-24-13-5-2-4-12(8-13)15-10-26-17-20-21-18(22(15)17)27-11-16(23)19-9-14-6-3-7-25-14/h2-8,10H,9,11H2,1H3,(H,19,23).
What are the key properties of 2-[[5-(3-methoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
2-[[5-(3-methoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 416.55 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-methoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 653106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).