[3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone

C16H10Cl2F2N2OS — CID 1001525

IUPAC[3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone
SMILESCc1cc(C(F)F)nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(N)c12
InChIInChI=1S/C16H10Cl2F2N2OS/c1-6-4-10(15(19)20)22-16-11(6)12(21)14(24-16)13(23)8-3-2-7(17)5-9(8)18/h2-5,15H,21H2,1H3
InChIKeyWUMZZNDZNNNXJP-UHFFFAOYSA-N
MW387.24 g/mol
LogP5.66
Rot. Bonds3

About [3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone

[3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone (PubChem CID 1001525) has the molecular formula C16H10Cl2F2N2OS and a molecular weight of 387.24 g/mol. Its IUPAC name is [3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name[3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone
PubChem CID1001525
Molecular FormulaC16H10Cl2F2N2OS
Molecular Weight387.24 g/mol
Exact Mass385.99
IUPAC Name[3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone
SMILESCc1cc(C(F)F)nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(N)c12
InChIInChI=1S/C16H10Cl2F2N2OS/c1-6-4-10(15(19)20)22-16-11(6)12(21)14(24-16)13(23)8-3-2-7(17)5-9(8)18/h2-5,15H,21H2,1H3
InChIKeyWUMZZNDZNNNXJP-UHFFFAOYSA-N
XLogP5.66
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.24
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone?
The IUPAC name of [3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone (CID 1001525) is [3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone.
What is the SMILES notation for [3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone?
The canonical SMILES for [3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone is Cc1cc(C(F)F)nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(N)c12.
What is the InChIKey of [3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone?
The InChIKey is WUMZZNDZNNNXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2F2N2OS/c1-6-4-10(15(19)20)22-16-11(6)12(21)14(24-16)13(23)8-3-2-7(17)5-9(8)18/h2-5,15H,21H2,1H3.
What are the key properties of [3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone?
[3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone has a molecular weight of 387.24 g/mol, XLogP of 5.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone is sourced from PubChem (CID 1001525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).