3-amino-4-(2-chloro-4,5-dimethylphenoxy)thieno[2,3-b]pyridine-2-carboxamide

C16H14ClN3O2S — CID 25004564

IUPAC3-amino-4-(2-chloro-4,5-dimethylphenoxy)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(Cl)c(Oc2ccnc3sc(C(N)=O)c(N)c23)cc1C
InChIInChI=1S/C16H14ClN3O2S/c1-7-5-9(17)11(6-8(7)2)22-10-3-4-20-16-12(10)13(18)14(23-16)15(19)21/h3-6H,18H2,1-2H3,(H2,19,21)
InChIKeyRXDKKXUGDFOYGE-UHFFFAOYSA-N
MW347.83 g/mol
LogP4.04
Rot. Bonds3

About 3-amino-4-(2-chloro-4,5-dimethylphenoxy)thieno[2,3-b]pyridine-2-carboxamide

3-amino-4-(2-chloro-4,5-dimethylphenoxy)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 25004564) has the molecular formula C16H14ClN3O2S and a molecular weight of 347.83 g/mol. Its IUPAC name is 3-amino-4-(2-chloro-4,5-dimethylphenoxy)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-(2-chloro-4,5-dimethylphenoxy)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID25004564
Molecular FormulaC16H14ClN3O2S
Molecular Weight347.83 g/mol
Exact Mass347.05
IUPAC Name3-amino-4-(2-chloro-4,5-dimethylphenoxy)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(Cl)c(Oc2ccnc3sc(C(N)=O)c(N)c23)cc1C
InChIInChI=1S/C16H14ClN3O2S/c1-7-5-9(17)11(6-8(7)2)22-10-3-4-20-16-12(10)13(18)14(23-16)15(19)21/h3-6H,18H2,1-2H3,(H2,19,21)
InChIKeyRXDKKXUGDFOYGE-UHFFFAOYSA-N
XLogP4.04
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-chloro-4,5-dimethylphenoxy)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4-(2-chloro-4,5-dimethylphenoxy)thieno[2,3-b]pyridine-2-carboxamide (CID 25004564) is 3-amino-4-(2-chloro-4,5-dimethylphenoxy)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-(2-chloro-4,5-dimethylphenoxy)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-(2-chloro-4,5-dimethylphenoxy)thieno[2,3-b]pyridine-2-carboxamide is Cc1cc(Cl)c(Oc2ccnc3sc(C(N)=O)c(N)c23)cc1C.
What is the InChIKey of 3-amino-4-(2-chloro-4,5-dimethylphenoxy)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is RXDKKXUGDFOYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2S/c1-7-5-9(17)11(6-8(7)2)22-10-3-4-20-16-12(10)13(18)14(23-16)15(19)21/h3-6H,18H2,1-2H3,(H2,19,21).
What are the key properties of 3-amino-4-(2-chloro-4,5-dimethylphenoxy)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-4-(2-chloro-4,5-dimethylphenoxy)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 347.83 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-chloro-4,5-dimethylphenoxy)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 25004564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).