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

C16H16N2OS — CID 3480822

IUPAC(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanol
SMILESCc1cc(C)c2c(N)c(C(O)c3ccccc3)sc2n1
InChIInChI=1S/C16H16N2OS/c1-9-8-10(2)18-16-12(9)13(17)15(20-16)14(19)11-6-4-3-5-7-11/h3-8,14,19H,17H2,1-2H3
InChIKeyBZJBCWXDYRCRHE-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.58
Rot. Bonds2

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

(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanol (PubChem CID 3480822) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanol.

Molecular Properties

Compound Name(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanol
PubChem CID3480822
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanol
SMILESCc1cc(C)c2c(N)c(C(O)c3ccccc3)sc2n1
InChIInChI=1S/C16H16N2OS/c1-9-8-10(2)18-16-12(9)13(17)15(20-16)14(19)11-6-4-3-5-7-11/h3-8,14,19H,17H2,1-2H3
InChIKeyBZJBCWXDYRCRHE-UHFFFAOYSA-N
XLogP3.58
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.58
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)-phenylmethanol?
The IUPAC name of (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanol (CID 3480822) is (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanol.
What is the SMILES notation for (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanol?
The canonical SMILES for (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanol is Cc1cc(C)c2c(N)c(C(O)c3ccccc3)sc2n1.
What is the InChIKey of (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanol?
The InChIKey is BZJBCWXDYRCRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-9-8-10(2)18-16-12(9)13(17)15(20-16)14(19)11-6-4-3-5-7-11/h3-8,14,19H,17H2,1-2H3.
What are the key properties of (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanol?
(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanol has a molecular weight of 284.38 g/mol, XLogP of 3.58, 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)-phenylmethanol is sourced from PubChem (CID 3480822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).