[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone

C19H16F3N3O2S — CID 1157649

IUPAC[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone
SMILESNc1c(C(=O)N2CCOCC2)sc2nc(-c3ccccc3)cc(C(F)(F)F)c12
InChIInChI=1S/C19H16F3N3O2S/c20-19(21,22)12-10-13(11-4-2-1-3-5-11)24-17-14(12)15(23)16(28-17)18(26)25-6-8-27-9-7-25/h1-5,10H,6-9,23H2
InChIKeyBGJNNQIPSXZRAB-UHFFFAOYSA-N
MW407.42 g/mol
LogP4.04
Rot. Bonds2

About [3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone

[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone (PubChem CID 1157649) has the molecular formula C19H16F3N3O2S and a molecular weight of 407.42 g/mol. Its IUPAC name is [3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone
PubChem CID1157649
Molecular FormulaC19H16F3N3O2S
Molecular Weight407.42 g/mol
Exact Mass407.09
IUPAC Name[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone
SMILESNc1c(C(=O)N2CCOCC2)sc2nc(-c3ccccc3)cc(C(F)(F)F)c12
InChIInChI=1S/C19H16F3N3O2S/c20-19(21,22)12-10-13(11-4-2-1-3-5-11)24-17-14(12)15(23)16(28-17)18(26)25-6-8-27-9-7-25/h1-5,10H,6-9,23H2
InChIKeyBGJNNQIPSXZRAB-UHFFFAOYSA-N
XLogP4.04
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone (CID 1157649) is [3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone is Nc1c(C(=O)N2CCOCC2)sc2nc(-c3ccccc3)cc(C(F)(F)F)c12.
What is the InChIKey of [3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is BGJNNQIPSXZRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2S/c20-19(21,22)12-10-13(11-4-2-1-3-5-11)24-17-14(12)15(23)16(28-17)18(26)25-6-8-27-9-7-25/h1-5,10H,6-9,23H2.
What are the key properties of [3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone?
[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 407.42 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 1157649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).