3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C16H12F3N3O2S — CID 11710378

IUPAC3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(-c2cc(C(F)(F)F)c3c(N)c(C(N)=O)sc3n2)cc1
InChIInChI=1S/C16H12F3N3O2S/c1-24-8-4-2-7(3-5-8)10-6-9(16(17,18)19)11-12(20)13(14(21)23)25-15(11)22-10/h2-6H,20H2,1H3,(H2,21,23)
InChIKeyDCHCMMBZCZDIDY-UHFFFAOYSA-N
MW367.35 g/mol
LogP3.67
Rot. Bonds3

About 3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 11710378) has the molecular formula C16H12F3N3O2S and a molecular weight of 367.35 g/mol. Its IUPAC name is 3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID11710378
Molecular FormulaC16H12F3N3O2S
Molecular Weight367.35 g/mol
Exact Mass367.06
IUPAC Name3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(-c2cc(C(F)(F)F)c3c(N)c(C(N)=O)sc3n2)cc1
InChIInChI=1S/C16H12F3N3O2S/c1-24-8-4-2-7(3-5-8)10-6-9(16(17,18)19)11-12(20)13(14(21)23)25-15(11)22-10/h2-6H,20H2,1H3,(H2,21,23)
InChIKeyDCHCMMBZCZDIDY-UHFFFAOYSA-N
XLogP3.67
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 11710378) is 3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is COc1ccc(-c2cc(C(F)(F)F)c3c(N)c(C(N)=O)sc3n2)cc1.
What is the InChIKey of 3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is DCHCMMBZCZDIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2S/c1-24-8-4-2-7(3-5-8)10-6-9(16(17,18)19)11-12(20)13(14(21)23)25-15(11)22-10/h2-6H,20H2,1H3,(H2,21,23).
What are the key properties of 3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 367.35 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 11710378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).