2-[[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide

C17H17Cl2N5O2S2 — CID 35210310

IUPAC2-[[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)CSc1nnc2c(Cl)cc(Cl)cn12
InChIInChI=1S/C17H17Cl2N5O2S2/c1-2-23(9-14(25)20-7-12-4-3-5-27-12)15(26)10-28-17-22-21-16-13(19)6-11(18)8-24(16)17/h3-6,8H,2,7,9-10H2,1H3,(H,20,25)
InChIKeyMAGAWUCNTUXXLK-UHFFFAOYSA-N
MW458.40 g/mol
LogP3.35
Rot. Bonds8

About 2-[[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide

2-[[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 35210310) has the molecular formula C17H17Cl2N5O2S2 and a molecular weight of 458.40 g/mol. Its IUPAC name is 2-[[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID35210310
Molecular FormulaC17H17Cl2N5O2S2
Molecular Weight458.40 g/mol
Exact Mass457.02
IUPAC Name2-[[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)CSc1nnc2c(Cl)cc(Cl)cn12
InChIInChI=1S/C17H17Cl2N5O2S2/c1-2-23(9-14(25)20-7-12-4-3-5-27-12)15(26)10-28-17-22-21-16-13(19)6-11(18)8-24(16)17/h3-6,8H,2,7,9-10H2,1H3,(H,20,25)
InChIKeyMAGAWUCNTUXXLK-UHFFFAOYSA-N
XLogP3.35
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide with MolForge

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Related Compounds

2-[[2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 55426622
2-[ethyl-[2-(4-hydroxyphenyl)sulfanylacetyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 55835867
2-[[2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 24613622
2-[ethyl-[2-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 55399883
2-[ethyl-[2-(4-methoxyphenyl)sulfanylacetyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 8908059
N-[(2-chlorophenyl)methyl]-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide
CID 3931199
2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 9006489
N-[(4-chlorophenyl)methyl]-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide
CID 4214364
2-[ethyl-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 43008563
N-butyl-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide
CID 4024218
2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 7878390
2-[[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide
CID 35789892

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide (CID 35210310) is 2-[[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide is CCN(CC(=O)NCc1cccs1)C(=O)CSc1nnc2c(Cl)cc(Cl)cn12.
What is the InChIKey of 2-[[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is MAGAWUCNTUXXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N5O2S2/c1-2-23(9-14(25)20-7-12-4-3-5-27-12)15(26)10-28-17-22-21-16-13(19)6-11(18)8-24(16)17/h3-6,8H,2,7,9-10H2,1H3,(H,20,25).
What are the key properties of 2-[[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide?
2-[[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 458.40 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 35210310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).