2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(3,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone

C23H24N6O2S2 — CID 53046670

IUPAC2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(3,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone
SMILESCc1cc(C)cc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2sc3ncccc3c2N)c1
InChIInChI=1S/C23H24N6O2S2/c1-14-10-15(2)12-16(11-14)29-21(20-19(24)17-4-3-5-25-22(17)33-20)26-27-23(29)32-13-18(30)28-6-8-31-9-7-28/h3-5,10-12H,6-9,13,24H2,1-2H3
InChIKeyHWAAGMZKYNTPDR-UHFFFAOYSA-N
MW480.62 g/mol
LogP3.69
Rot. Bonds5

About 2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(3,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone

2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(3,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone (PubChem CID 53046670) has the molecular formula C23H24N6O2S2 and a molecular weight of 480.62 g/mol. Its IUPAC name is 2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(3,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(3,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone
PubChem CID53046670
Molecular FormulaC23H24N6O2S2
Molecular Weight480.62 g/mol
Exact Mass480.14
IUPAC Name2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(3,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone
SMILESCc1cc(C)cc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2sc3ncccc3c2N)c1
InChIInChI=1S/C23H24N6O2S2/c1-14-10-15(2)12-16(11-14)29-21(20-19(24)17-4-3-5-25-22(17)33-20)26-27-23(29)32-13-18(30)28-6-8-31-9-7-28/h3-5,10-12H,6-9,13,24H2,1-2H3
InChIKeyHWAAGMZKYNTPDR-UHFFFAOYSA-N
XLogP3.69
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.62
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(3,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone with MolForge

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Launch Full Analysis

Related Compounds

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-[[4-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 1319312
2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 25239265
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-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylacetamide
CID 53046656
2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone
CID 1080941
2-[[4-(2,5-dimethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 3214532
2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 52991739
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-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CID 53046700
2-[[4-(3-chlorophenyl)-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 3213596
methyl 2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 53046801

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(3,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(3,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone (CID 53046670) is 2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(3,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(3,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(3,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone is Cc1cc(C)cc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2sc3ncccc3c2N)c1.
What is the InChIKey of 2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(3,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone?
The InChIKey is HWAAGMZKYNTPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2S2/c1-14-10-15(2)12-16(11-14)29-21(20-19(24)17-4-3-5-25-22(17)33-20)26-27-23(29)32-13-18(30)28-6-8-31-9-7-28/h3-5,10-12H,6-9,13,24H2,1-2H3.
What are the key properties of 2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(3,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone?
2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(3,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone has a molecular weight of 480.62 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 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-(3,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 53046670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).