(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4-difluorophenyl)methanone

C16H12F2N2OS — CID 19571628

IUPAC(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4-difluorophenyl)methanone
SMILESCc1cc(C)c2c(N)c(C(=O)c3ccc(F)cc3F)sc2n1
InChIInChI=1S/C16H12F2N2OS/c1-7-5-8(2)20-16-12(7)13(19)15(22-16)14(21)10-4-3-9(17)6-11(10)18/h3-6H,19H2,1-2H3
InChIKeyIDVZARGAVKYUDU-UHFFFAOYSA-N
MW318.35 g/mol
LogP4.00
Rot. Bonds2

About (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4-difluorophenyl)methanone

(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4-difluorophenyl)methanone (PubChem CID 19571628) has the molecular formula C16H12F2N2OS and a molecular weight of 318.35 g/mol. Its IUPAC name is (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4-difluorophenyl)methanone.

Molecular Properties

Compound Name(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4-difluorophenyl)methanone
PubChem CID19571628
Molecular FormulaC16H12F2N2OS
Molecular Weight318.35 g/mol
Exact Mass318.06
IUPAC Name(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4-difluorophenyl)methanone
SMILESCc1cc(C)c2c(N)c(C(=O)c3ccc(F)cc3F)sc2n1
InChIInChI=1S/C16H12F2N2OS/c1-7-5-8(2)20-16-12(7)13(19)15(22-16)14(21)10-4-3-9(17)6-11(10)18/h3-6H,19H2,1-2H3
InChIKeyIDVZARGAVKYUDU-UHFFFAOYSA-N
XLogP4.00
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4-difluorophenyl)methanone?
The IUPAC name of (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4-difluorophenyl)methanone (CID 19571628) is (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4-difluorophenyl)methanone.
What is the SMILES notation for (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4-difluorophenyl)methanone?
The canonical SMILES for (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4-difluorophenyl)methanone is Cc1cc(C)c2c(N)c(C(=O)c3ccc(F)cc3F)sc2n1.
What is the InChIKey of (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4-difluorophenyl)methanone?
The InChIKey is IDVZARGAVKYUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2OS/c1-7-5-8(2)20-16-12(7)13(19)15(22-16)14(21)10-4-3-9(17)6-11(10)18/h3-6H,19H2,1-2H3.
What are the key properties of (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4-difluorophenyl)methanone?
(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4-difluorophenyl)methanone has a molecular weight of 318.35 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4-difluorophenyl)methanone is sourced from PubChem (CID 19571628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).