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

C16H14F2N2OS — CID 155544752

IUPAC(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4-difluorophenyl)methanol
SMILESCc1cc(C)c2c(N)c(C(O)c3ccc(F)cc3F)sc2n1
InChIInChI=1S/C16H14F2N2OS/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/h3-6,14,21H,19H2,1-2H3
InChIKeyFOZYSBFIWWIDKD-UHFFFAOYSA-N
MW320.36 g/mol
LogP3.86
Rot. Bonds2

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

(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4-difluorophenyl)methanol (PubChem CID 155544752) has the molecular formula C16H14F2N2OS and a molecular weight of 320.36 g/mol. Its IUPAC name is (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4-difluorophenyl)methanol.

Molecular Properties

Compound Name(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4-difluorophenyl)methanol
PubChem CID155544752
Molecular FormulaC16H14F2N2OS
Molecular Weight320.36 g/mol
Exact Mass320.08
IUPAC Name(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4-difluorophenyl)methanol
SMILESCc1cc(C)c2c(N)c(C(O)c3ccc(F)cc3F)sc2n1
InChIInChI=1S/C16H14F2N2OS/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/h3-6,14,21H,19H2,1-2H3
InChIKeyFOZYSBFIWWIDKD-UHFFFAOYSA-N
XLogP3.86
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 53.86
H-Bond Donors ≤ 52
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)methanol?
The IUPAC name of (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4-difluorophenyl)methanol (CID 155544752) is (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4-difluorophenyl)methanol.
What is the SMILES notation for (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4-difluorophenyl)methanol?
The canonical SMILES for (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4-difluorophenyl)methanol 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)methanol?
The InChIKey is FOZYSBFIWWIDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2OS/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/h3-6,14,21H,19H2,1-2H3.
What are the key properties of (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4-difluorophenyl)methanol?
(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4-difluorophenyl)methanol has a molecular weight of 320.36 g/mol, XLogP of 3.86, 2 rotatable bonds, 2 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)methanol is sourced from PubChem (CID 155544752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).