ethyl 3-amino-6-(5-methyl-1-phenyltriazol-4-yl)thieno[2,3-b]pyridine-2-carboxylate

C19H17N5O2S — CID 139231552

IUPACethyl 3-amino-6-(5-methyl-1-phenyltriazol-4-yl)thieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3nnn(-c4ccccc4)c3C)ccc2c1N
InChIInChI=1S/C19H17N5O2S/c1-3-26-19(25)17-15(20)13-9-10-14(21-18(13)27-17)16-11(2)24(23-22-16)12-7-5-4-6-8-12/h4-10H,3,20H2,1-2H3
InChIKeyOIHZIYIUTHZCIE-UHFFFAOYSA-N
MW379.45 g/mol
LogP3.61
Rot. Bonds4

About ethyl 3-amino-6-(5-methyl-1-phenyltriazol-4-yl)thieno[2,3-b]pyridine-2-carboxylate

ethyl 3-amino-6-(5-methyl-1-phenyltriazol-4-yl)thieno[2,3-b]pyridine-2-carboxylate (PubChem CID 139231552) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is ethyl 3-amino-6-(5-methyl-1-phenyltriazol-4-yl)thieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-6-(5-methyl-1-phenyltriazol-4-yl)thieno[2,3-b]pyridine-2-carboxylate
PubChem CID139231552
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC Nameethyl 3-amino-6-(5-methyl-1-phenyltriazol-4-yl)thieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3nnn(-c4ccccc4)c3C)ccc2c1N
InChIInChI=1S/C19H17N5O2S/c1-3-26-19(25)17-15(20)13-9-10-14(21-18(13)27-17)16-11(2)24(23-22-16)12-7-5-4-6-8-12/h4-10H,3,20H2,1-2H3
InChIKeyOIHZIYIUTHZCIE-UHFFFAOYSA-N
XLogP3.61
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 3-amino-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxylate
CID 753891
ethyl 3-amino-6-pyridin-1-ium-3-ylthieno[2,3-b]pyridine-2-carboxylate
CID 4294749
ethyl 6-acetyl-3-aminothieno[2,3-b]pyridine-2-carboxylate
CID 2747019
phenacyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate
CID 19057256
ethyl 3-amino-4-(1,3-diphenylpyrazol-4-yl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 10649541
ethyl 4,5-dimethyl-2-[(5-methyl-1-phenyltriazole-4-carbonyl)amino]thiophene-3-carboxylate
CID 16648920
ethyl 5-amino-3,4-diphenylthieno[2,3-c]pyridazine-6-carboxylate
CID 1241263
ethyl 3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 15681722
benzyl 3-amino-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxylate
CID 1009034
ethyl 3-amino-8-methylthieno[2,3-b]quinoline-2-carboxylate
CID 865150
4-methyl-N-(3-methylbutyl)-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole-5-carboxamide
CID 53100716
ethyl 3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 1040515

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-6-(5-methyl-1-phenyltriazol-4-yl)thieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-amino-6-(5-methyl-1-phenyltriazol-4-yl)thieno[2,3-b]pyridine-2-carboxylate (CID 139231552) is ethyl 3-amino-6-(5-methyl-1-phenyltriazol-4-yl)thieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-6-(5-methyl-1-phenyltriazol-4-yl)thieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-amino-6-(5-methyl-1-phenyltriazol-4-yl)thieno[2,3-b]pyridine-2-carboxylate is CCOC(=O)c1sc2nc(-c3nnn(-c4ccccc4)c3C)ccc2c1N.
What is the InChIKey of ethyl 3-amino-6-(5-methyl-1-phenyltriazol-4-yl)thieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is OIHZIYIUTHZCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S/c1-3-26-19(25)17-15(20)13-9-10-14(21-18(13)27-17)16-11(2)24(23-22-16)12-7-5-4-6-8-12/h4-10H,3,20H2,1-2H3.
What are the key properties of ethyl 3-amino-6-(5-methyl-1-phenyltriazol-4-yl)thieno[2,3-b]pyridine-2-carboxylate?
ethyl 3-amino-6-(5-methyl-1-phenyltriazol-4-yl)thieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 379.45 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-6-(5-methyl-1-phenyltriazol-4-yl)thieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 139231552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).