2-[[2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide

C18H24N8O2S2 — CID 55426622

IUPAC2-[[2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)CSc1nnc(-n2nc(C)cc2C)n1N
InChIInChI=1S/C18H24N8O2S2/c1-4-24(10-15(27)20-9-14-6-5-7-29-14)16(28)11-30-18-22-21-17(25(18)19)26-13(3)8-12(2)23-26/h5-8H,4,9-11,19H2,1-3H3,(H,20,27)
InChIKeyHGYGCLBGVALXBL-UHFFFAOYSA-N
MW448.58 g/mol
LogP1.11
Rot. Bonds9

About 2-[[2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide

2-[[2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 55426622) has the molecular formula C18H24N8O2S2 and a molecular weight of 448.58 g/mol. Its IUPAC name is 2-[[2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID55426622
Molecular FormulaC18H24N8O2S2
Molecular Weight448.58 g/mol
Exact Mass448.15
IUPAC Name2-[[2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)CSc1nnc(-n2nc(C)cc2C)n1N
InChIInChI=1S/C18H24N8O2S2/c1-4-24(10-15(27)20-9-14-6-5-7-29-14)16(28)11-30-18-22-21-17(25(18)19)26-13(3)8-12(2)23-26/h5-8H,4,9-11,19H2,1-3H3,(H,20,27)
InChIKeyHGYGCLBGVALXBL-UHFFFAOYSA-N
XLogP1.11
TPSA123.96 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.58
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[[2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide with MolForge

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Related Compounds

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
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-hydroxyphenyl)sulfanylacetyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 55835867
2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-propylacetamide
CID 40698354
2-[ethyl-[2-(4-methoxyphenyl)sulfanylacetyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 8908059
2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 8628515
2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 9006489
2-[ethyl-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 43008563
2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopropylmethyl)-N-propylacetamide
CID 8628586
2-[[2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 55426434
2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]acetamide
CID 8628910
2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 35949812

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 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) is 2-[[2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide is CCN(CC(=O)NCc1cccs1)C(=O)CSc1nnc(-n2nc(C)cc2C)n1N.
What is the InChIKey of 2-[[2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is HGYGCLBGVALXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8O2S2/c1-4-24(10-15(27)20-9-14-6-5-7-29-14)16(28)11-30-18-22-21-17(25(18)19)26-13(3)8-12(2)23-26/h5-8H,4,9-11,19H2,1-3H3,(H,20,27).
What are the key properties of 2-[[2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide?
2-[[2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 448.58 g/mol, XLogP of 1.11, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 55426622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).