methyl 3-amino-6-(2-chloro-5-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate

C16H14ClN3O3S — CID 50906859

IUPACmethyl 3-amino-6-(2-chloro-5-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2cc(Nc3cc(OC)ccc3Cl)cnc2c1N
InChIInChI=1S/C16H14ClN3O3S/c1-22-9-3-4-10(17)11(6-9)20-8-5-12-14(19-7-8)13(18)15(24-12)16(21)23-2/h3-7,20H,18H2,1-2H3
InChIKeyLGGGQJRUKBTIQD-UHFFFAOYSA-N
MW363.83 g/mol
LogP4.07
Rot. Bonds4

About methyl 3-amino-6-(2-chloro-5-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate

methyl 3-amino-6-(2-chloro-5-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate (PubChem CID 50906859) has the molecular formula C16H14ClN3O3S and a molecular weight of 363.83 g/mol. Its IUPAC name is methyl 3-amino-6-(2-chloro-5-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-(2-chloro-5-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate
PubChem CID50906859
Molecular FormulaC16H14ClN3O3S
Molecular Weight363.83 g/mol
Exact Mass363.04
IUPAC Namemethyl 3-amino-6-(2-chloro-5-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2cc(Nc3cc(OC)ccc3Cl)cnc2c1N
InChIInChI=1S/C16H14ClN3O3S/c1-22-9-3-4-10(17)11(6-9)20-8-5-12-14(19-7-8)13(18)15(24-12)16(21)23-2/h3-7,20H,18H2,1-2H3
InChIKeyLGGGQJRUKBTIQD-UHFFFAOYSA-N
XLogP4.07
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.83
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 3-amino-6-(2-chloro-5-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate with MolForge

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Related Compounds

Methyl 3-(2-amino-4-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate
CID 73357133
Methyl 3-amino-6-(4-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate
CID 50906649
Methyl 3-amino-6-(3,4-dimethoxyanilino)thieno[3,2-b]pyridine-2-carboxylate
CID 50906857
Methyl 3-amino-6-(3,5-dimethoxyanilino)thieno[3,2-b]pyridine-2-carboxylate
CID 50906858
Methyl 3-[(3-amino-2-methoxycarbonylthieno[3,2-b]pyridin-6-yl)amino]-6-(2-chloro-5-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate
CID 50906862
Methyl 3-amino-7-methoxythieno[3,2-b]pyridine-2-carboxylate
CID 10799938
3-Amino-6-chloro-thieno[3,2-b]pyridine-2-carboxylic acid methyl ester
CID 18796904
Methyl 3-amino-6-methoxythieno[3,2-b]pyridine-2-carboxylate
CID 18796915
Methyl 7-(3-aminophenoxy)thieno[3,2-b]pyridine-2-carboxylate
CID 117690318
3-Amino-7-methoxythieno[3,2-b]pyridine-2-carboxylate
CID 18796812
3-amino-N-(4-methoxyphenyl)thieno[3,2-b]pyridine-2-carboxamide
CID 81598658
3-amino-N-(3-methoxyphenyl)thieno[3,2-b]pyridine-2-carboxamide
CID 81598666

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-(2-chloro-5-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-(2-chloro-5-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate (CID 50906859) is methyl 3-amino-6-(2-chloro-5-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-(2-chloro-5-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-(2-chloro-5-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate is COC(=O)c1sc2cc(Nc3cc(OC)ccc3Cl)cnc2c1N.
What is the InChIKey of methyl 3-amino-6-(2-chloro-5-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate?
The InChIKey is LGGGQJRUKBTIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3S/c1-22-9-3-4-10(17)11(6-9)20-8-5-12-14(19-7-8)13(18)15(24-12)16(21)23-2/h3-7,20H,18H2,1-2H3.
What are the key properties of methyl 3-amino-6-(2-chloro-5-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate?
methyl 3-amino-6-(2-chloro-5-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate has a molecular weight of 363.83 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-(2-chloro-5-methoxyanilino)thieno[3,2-b]pyridine-2-carboxylate is sourced from PubChem (CID 50906859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).