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

C16H11F3N2OS2 — CID 1039936

IUPAC[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-cyclopropylmethanone
SMILESNc1c(C(=O)C2CC2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12
InChIInChI=1S/C16H11F3N2OS2/c17-16(18,19)8-6-9(10-2-1-5-23-10)21-15-11(8)12(20)14(24-15)13(22)7-3-4-7/h1-2,5-7H,3-4,20H2
InChIKeyUWBCHNUFEKEGCH-UHFFFAOYSA-N
MW368.41 g/mol
LogP5.22
Rot. Bonds3

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

[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-cyclopropylmethanone (PubChem CID 1039936) has the molecular formula C16H11F3N2OS2 and a molecular weight of 368.41 g/mol. Its IUPAC name is [3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-cyclopropylmethanone
PubChem CID1039936
Molecular FormulaC16H11F3N2OS2
Molecular Weight368.41 g/mol
Exact Mass368.03
IUPAC Name[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-cyclopropylmethanone
SMILESNc1c(C(=O)C2CC2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12
InChIInChI=1S/C16H11F3N2OS2/c17-16(18,19)8-6-9(10-2-1-5-23-10)21-15-11(8)12(20)14(24-15)13(22)7-3-4-7/h1-2,5-7H,3-4,20H2
InChIKeyUWBCHNUFEKEGCH-UHFFFAOYSA-N
XLogP5.22
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.41
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-cyclopropylmethanone?
The IUPAC name of [3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-cyclopropylmethanone (CID 1039936) is [3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-cyclopropylmethanone?
The canonical SMILES for [3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-cyclopropylmethanone is Nc1c(C(=O)C2CC2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12.
What is the InChIKey of [3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-cyclopropylmethanone?
The InChIKey is UWBCHNUFEKEGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2OS2/c17-16(18,19)8-6-9(10-2-1-5-23-10)21-15-11(8)12(20)14(24-15)13(22)7-3-4-7/h1-2,5-7H,3-4,20H2.
What are the key properties of [3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-cyclopropylmethanone?
[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-cyclopropylmethanone has a molecular weight of 368.41 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-cyclopropylmethanone is sourced from PubChem (CID 1039936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).