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

C18H13F3N2OS — CID 1240391

IUPAC[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-cyclopropylmethanone
SMILESNc1c(C(=O)C2CC2)sc2nc(-c3ccccc3)cc(C(F)(F)F)c12
InChIInChI=1S/C18H13F3N2OS/c19-18(20,21)11-8-12(9-4-2-1-3-5-9)23-17-13(11)14(22)16(25-17)15(24)10-6-7-10/h1-5,8,10H,6-7,22H2
InChIKeySTWRWONGYZOBDH-UHFFFAOYSA-N
MW362.38 g/mol
LogP5.16
Rot. Bonds3

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

[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-cyclopropylmethanone (PubChem CID 1240391) has the molecular formula C18H13F3N2OS and a molecular weight of 362.38 g/mol. Its IUPAC name is [3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-cyclopropylmethanone
PubChem CID1240391
Molecular FormulaC18H13F3N2OS
Molecular Weight362.38 g/mol
Exact Mass362.07
IUPAC Name[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-cyclopropylmethanone
SMILESNc1c(C(=O)C2CC2)sc2nc(-c3ccccc3)cc(C(F)(F)F)c12
InChIInChI=1S/C18H13F3N2OS/c19-18(20,21)11-8-12(9-4-2-1-3-5-9)23-17-13(11)14(22)16(25-17)15(24)10-6-7-10/h1-5,8,10H,6-7,22H2
InChIKeySTWRWONGYZOBDH-UHFFFAOYSA-N
XLogP5.16
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.38
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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]-cyclopropylmethanone?
The IUPAC name of [3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-cyclopropylmethanone (CID 1240391) is [3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-cyclopropylmethanone?
The canonical SMILES for [3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-cyclopropylmethanone is Nc1c(C(=O)C2CC2)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]-cyclopropylmethanone?
The InChIKey is STWRWONGYZOBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2OS/c19-18(20,21)11-8-12(9-4-2-1-3-5-9)23-17-13(11)14(22)16(25-17)15(24)10-6-7-10/h1-5,8,10H,6-7,22H2.
What are the key properties of [3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-cyclopropylmethanone?
[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-cyclopropylmethanone has a molecular weight of 362.38 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 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]-cyclopropylmethanone is sourced from PubChem (CID 1240391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).