2-[methoxy-(2-methoxyethyl)-methyl-λ4-sulfanyl]-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine

C18H20F3N3O2S2 — CID 170737954

IUPAC2-[methoxy-(2-methoxyethyl)-methyl-λ4-sulfanyl]-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine
SMILESCOCCS(C)(OC)c1sc2nc(-c3cccnc3)cc(C(F)(F)F)c2c1N
InChIInChI=1S/C18H20F3N3O2S2/c1-25-7-8-28(3,26-2)17-15(22)14-12(18(19,20)21)9-13(24-16(14)27-17)11-5-4-6-23-10-11/h4-6,9-10H,7-8,22H2,1-3H3
InChIKeyMRZBLJZEFVULBR-UHFFFAOYSA-N
MW431.51 g/mol
LogP4.96
Rot. Bonds6

About 2-[methoxy-(2-methoxyethyl)-methyl-λ4-sulfanyl]-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine

2-[methoxy-(2-methoxyethyl)-methyl-λ4-sulfanyl]-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine (PubChem CID 170737954) has the molecular formula C18H20F3N3O2S2 and a molecular weight of 431.51 g/mol. Its IUPAC name is 2-[methoxy-(2-methoxyethyl)-methyl-λ4-sulfanyl]-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name2-[methoxy-(2-methoxyethyl)-methyl-λ4-sulfanyl]-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine
PubChem CID170737954
Molecular FormulaC18H20F3N3O2S2
Molecular Weight431.51 g/mol
Exact Mass431.09
IUPAC Name2-[methoxy-(2-methoxyethyl)-methyl-λ4-sulfanyl]-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine
SMILESCOCCS(C)(OC)c1sc2nc(-c3cccnc3)cc(C(F)(F)F)c2c1N
InChIInChI=1S/C18H20F3N3O2S2/c1-25-7-8-28(3,26-2)17-15(22)14-12(18(19,20)21)9-13(24-16(14)27-17)11-5-4-6-23-10-11/h4-6,9-10H,7-8,22H2,1-3H3
InChIKeyMRZBLJZEFVULBR-UHFFFAOYSA-N
XLogP4.96
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[methoxy-(2-methoxyethyl)-methyl-λ4-sulfanyl]-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine with MolForge

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Related Compounds

methyl 3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate
CID 1086462
2-(aminomethyl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine
CID 170875365
3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid
CID 712459
2-[[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]ethyl-dimethylazanium
CID 7349473
4-[3-amino-2-[hydroxy-(2-methoxyethyl)-methyl-λ4-sulfanyl]-4-phenylthieno[2,3-b]pyridin-6-yl]-1H-pyrimidin-6-one
CID 162728453
[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(3,4-dimethoxyphenyl)methanone
CID 1005350
3-amino-N-(4-ethoxyphenyl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1341827
3-amino-6-(4-chlorophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 11494474
1-adamantyl-[3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone
CID 3888547
6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2,3-diamine
CID 143534703
3-amino-6-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 87048301
3-amino-6-(4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 15994595

Frequently Asked Questions

What is the IUPAC name of 2-[methoxy-(2-methoxyethyl)-methyl-λ4-sulfanyl]-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine?
The IUPAC name of 2-[methoxy-(2-methoxyethyl)-methyl-λ4-sulfanyl]-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine (CID 170737954) is 2-[methoxy-(2-methoxyethyl)-methyl-λ4-sulfanyl]-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 2-[methoxy-(2-methoxyethyl)-methyl-λ4-sulfanyl]-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 2-[methoxy-(2-methoxyethyl)-methyl-λ4-sulfanyl]-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine is COCCS(C)(OC)c1sc2nc(-c3cccnc3)cc(C(F)(F)F)c2c1N.
What is the InChIKey of 2-[methoxy-(2-methoxyethyl)-methyl-λ4-sulfanyl]-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine?
The InChIKey is MRZBLJZEFVULBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O2S2/c1-25-7-8-28(3,26-2)17-15(22)14-12(18(19,20)21)9-13(24-16(14)27-17)11-5-4-6-23-10-11/h4-6,9-10H,7-8,22H2,1-3H3.
What are the key properties of 2-[methoxy-(2-methoxyethyl)-methyl-λ4-sulfanyl]-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine?
2-[methoxy-(2-methoxyethyl)-methyl-λ4-sulfanyl]-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine has a molecular weight of 431.51 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methoxy-(2-methoxyethyl)-methyl-λ4-sulfanyl]-6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 170737954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).