2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide

C24H26N6O2S2 — CID 53046684

IUPAC2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1cccc(-n2c(SCC(=O)NCC3CCCO3)nnc2-c2sc3ncccc3c2N)c1C
InChIInChI=1S/C24H26N6O2S2/c1-14-6-3-9-18(15(14)2)30-22(21-20(25)17-8-4-10-26-23(17)34-21)28-29-24(30)33-13-19(31)27-12-16-7-5-11-32-16/h3-4,6,8-10,16H,5,7,11-13,25H2,1-2H3,(H,27,31)
InChIKeyYDVQAIVSSMZOAJ-UHFFFAOYSA-N
MW494.65 g/mol
LogP4.13
Rot. Bonds7

About 2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide

2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 53046684) has the molecular formula C24H26N6O2S2 and a molecular weight of 494.65 g/mol. Its IUPAC name is 2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID53046684
Molecular FormulaC24H26N6O2S2
Molecular Weight494.65 g/mol
Exact Mass494.16
IUPAC Name2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1cccc(-n2c(SCC(=O)NCC3CCCO3)nnc2-c2sc3ncccc3c2N)c1C
InChIInChI=1S/C24H26N6O2S2/c1-14-6-3-9-18(15(14)2)30-22(21-20(25)17-8-4-10-26-23(17)34-21)28-29-24(30)33-13-19(31)27-12-16-7-5-11-32-16/h3-4,6,8-10,16H,5,7,11-13,25H2,1-2H3,(H,27,31)
InChIKeyYDVQAIVSSMZOAJ-UHFFFAOYSA-N
XLogP4.13
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.65
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide with MolForge

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Related Compounds

2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 95060689
2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide
CID 53046827
2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dimethylphenyl)acetamide
CID 52991835
2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dimethylphenyl)acetamide
CID 95049937
2-[[4-(3-chloro-2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2594963
2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 92902661
2-[5-[(2-methylphenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]thieno[2,3-b]pyridin-3-amine
CID 53046829
2-[5-benzylsulfanyl-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]thieno[2,3-b]pyridin-3-amine
CID 95060699
2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylacetamide
CID 53046656
2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 9408199
2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylacetamide
CID 53046709
2-[[4-(4-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7207660

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide (CID 53046684) is 2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide is Cc1cccc(-n2c(SCC(=O)NCC3CCCO3)nnc2-c2sc3ncccc3c2N)c1C.
What is the InChIKey of 2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is YDVQAIVSSMZOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2S2/c1-14-6-3-9-18(15(14)2)30-22(21-20(25)17-8-4-10-26-23(17)34-21)28-29-24(30)33-13-19(31)27-12-16-7-5-11-32-16/h3-4,6,8-10,16H,5,7,11-13,25H2,1-2H3,(H,27,31).
What are the key properties of 2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide?
2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 494.65 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 53046684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).